tricopper;tetrazinc;N'-[3-[[anilino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]-N-methylcarbamimidothioate;N'-[2-[[anilino(sulfido)methylidene]hydrazinylidene]ethylideneamino]-N-ethylcarbamimidothioate;bis(N'-[2-[[(4-chloroanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-chlorophenyl)carbamimidothioate);N-ethyl-N'-[3-[[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]carbamimidothioate;bis(N'-[2-[[(4-methoxyanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-methoxyphenyl)carbamimidothioate)

C102H106Cl4Cu3N42O4S14Zn4 — CID 158481910

About tricopper;tetrazinc;N'-[3-[[anilino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]-N-methylcarbamimidothioate;N'-[2-[[anilino(sulfido)methylidene]hydrazinylidene]ethylideneamino]-N-ethylcarbamimidothioate;bis(N'-[2-[[(4-chloroanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-chlorophenyl)carbamimidothioate);N-ethyl-N'-[3-[[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]carbamimidothioate;bis(N'-[2-[[(4-methoxyanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-methoxyphenyl)carbamimidothioate)

tricopper;tetrazinc;N'-[3-[[anilino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]-N-methylcarbamimidothioate;N'-[2-[[anilino(sulfido)methylidene]hydrazinylidene]ethylideneamino]-N-ethylcarbamimidothioate;bis(N'-[2-[[(4-chloroanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-chlorophenyl)carbamimidothioate);N-ethyl-N'-[3-[[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]carbamimidothioate;bis(N'-[2-[[(4-methoxyanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-methoxyphenyl)carbamimidothioate) (PubChem CID 158481910) has the molecular formula C102H106Cl4Cu3N42O4S14Zn4 and a molecular weight of 3027.21 g/mol. Its IUPAC name is tricopper;tetrazinc;N'-[3-[[anilino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]-N-methylcarbamimidothioate;N'-[2-[[anilino(sulfido)methylidene]hydrazinylidene]ethylideneamino]-N-ethylcarbamimidothioate;bis(N'-[2-[[(4-chloroanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-chlorophenyl)carbamimidothioate);N-ethyl-N'-[3-[[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]carbamimidothioate;bis(N'-[2-[[(4-methoxyanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-methoxyphenyl)carbamimidothioate).

Molecular Properties

• Compound Name: tricopper;tetrazinc;N'-[3-[[anilino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]-N-methylcarbamimidothioate;N'-[2-[[anilino(sulfido)methylidene]hydrazinylidene]ethylideneamino]-N-ethylcarbamimidothioate;bis(N'-[2-[[(4-chloroanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-chlorophenyl)carbamimidothioate);N-ethyl-N'-[3-[[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]carbamimidothioate;bis(N'-[2-[[(4-methoxyanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-methoxyphenyl)carbamimidothioate)
• PubChem CID: 158481910
• Molecular Formula: C102H106Cl4Cu3N42O4S14Zn4
• Molecular Weight: 3027.21 g/mol
• Exact Mass: 3014.93
• IUPAC Name: tricopper;tetrazinc;N'-[3-[[anilino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]-N-methylcarbamimidothioate;N'-[2-[[anilino(sulfido)methylidene]hydrazinylidene]ethylideneamino]-N-ethylcarbamimidothioate;bis(N'-[2-[[(4-chloroanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-chlorophenyl)carbamimidothioate);N-ethyl-N'-[3-[[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]carbamimidothioate;bis(N'-[2-[[(4-methoxyanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-methoxyphenyl)carbamimidothioate)
• SMILES: CCNC([S-])=NN=C(C)C(C)=NN=C([S-])NC.CCNC([S-])=NN=CC=NN=C([S-])Nc1ccccc1.CNC([S-])=NN=C(C)C(C)=NN=C([S-])Nc1ccccc1.COc1ccc(NC([S-])=NN=CC=NN=C([S-])Nc2ccc(OC)cc2)cc1.COc1ccc(NC([S-])=NN=CC=NN=C([S-])Nc2ccc(OC)cc2)cc1.[Cu+2].[Cu+2].[Cu+2].[S-]C(=NN=CC=NN=C([S-])Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1.[S-]C(=NN=CC=NN=C([S-])Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1.[Zn+2].[Zn+2].[Zn+2].[Zn+2]
• InChI: InChI=1S/2C18H20N6O2S2.2C16H14Cl2N6S2.C13H18N6S2.C12H16N6S2.C9H18N6S2.3Cu.4Zn/c2*1-25-15-7-3-13(4-8-15)21-17(27)23-19-11-12-20-24-18(28)22-14-5-9-16(26-2)10-6-14;2*17-11-1-5-13(6-2-11)21-15(25)23-19-9-10-20-24-16(26)22-14-7-3-12(18)4-8-14;1-9(16-18-12(20)14-3)10(2)17-19-13(21)15-11-7-5-4-6-8-11;1-2-13-11(19)17-14-8-9-15-18-12(20)16-10-6-4-3-5-7-10;1-5-11-9(17)15-13-7(3)6(2)12-14-8(16)10-4;;;;;;;/h2*3-12H,1-2H3,(H2,21,23,27)(H2,22,24,28);2*1-10H,(H2,21,23,25)(H2,22,24,26);4-8H,1-3H3,(H2,14,18,20)(H2,15,19,21);3-9H,2H2,1H3,(H2,13,17,19)(H2,16,18,20);5H2,1-4H3,(H2,10,14,16)(H2,11,15,17);;;;;;;/q;;;;;;;7*+2/p-14
• InChIKey: HHPRUCLIEHZHDN-UHFFFAOYSA-A
• XLogP: 18.32
• TPSA: 551.42 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 46
• Rotatable Bonds: 37
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3027.21
LogP ≤ 5	18.32
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tricopper;tetrazinc;N'-[3-[[anilino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]-N-methylcarbamimidothioate;N'-[2-[[anilino(sulfido)methylidene]hydrazinylidene]ethylideneamino]-N-ethylcarbamimidothioate;bis(N'-[2-[[(4-chloroanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-chlorophenyl)carbamimidothioate);N-ethyl-N'-[3-[[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]carbamimidothioate;bis(N'-[2-[[(4-methoxyanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-methoxyphenyl)carbamimidothioate)?

The IUPAC name of tricopper;tetrazinc;N'-[3-[[anilino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]-N-methylcarbamimidothioate;N'-[2-[[anilino(sulfido)methylidene]hydrazinylidene]ethylideneamino]-N-ethylcarbamimidothioate;bis(N'-[2-[[(4-chloroanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-chlorophenyl)carbamimidothioate);N-ethyl-N'-[3-[[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]carbamimidothioate;bis(N'-[2-[[(4-methoxyanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-methoxyphenyl)carbamimidothioate) (CID 158481910) is tricopper;tetrazinc;N'-[3-[[anilino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]-N-methylcarbamimidothioate;N'-[2-[[anilino(sulfido)methylidene]hydrazinylidene]ethylideneamino]-N-ethylcarbamimidothioate;bis(N'-[2-[[(4-chloroanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-chlorophenyl)carbamimidothioate);N-ethyl-N'-[3-[[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]carbamimidothioate;bis(N'-[2-[[(4-methoxyanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-methoxyphenyl)carbamimidothioate).

What is the SMILES notation for tricopper;tetrazinc;N'-[3-[[anilino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]-N-methylcarbamimidothioate;N'-[2-[[anilino(sulfido)methylidene]hydrazinylidene]ethylideneamino]-N-ethylcarbamimidothioate;bis(N'-[2-[[(4-chloroanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-chlorophenyl)carbamimidothioate);N-ethyl-N'-[3-[[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]carbamimidothioate;bis(N'-[2-[[(4-methoxyanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-methoxyphenyl)carbamimidothioate)?

The canonical SMILES for tricopper;tetrazinc;N'-[3-[[anilino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]-N-methylcarbamimidothioate;N'-[2-[[anilino(sulfido)methylidene]hydrazinylidene]ethylideneamino]-N-ethylcarbamimidothioate;bis(N'-[2-[[(4-chloroanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-chlorophenyl)carbamimidothioate);N-ethyl-N'-[3-[[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]carbamimidothioate;bis(N'-[2-[[(4-methoxyanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-methoxyphenyl)carbamimidothioate) is CCNC([S-])=NN=C(C)C(C)=NN=C([S-])NC.CCNC([S-])=NN=CC=NN=C([S-])Nc1ccccc1.CNC([S-])=NN=C(C)C(C)=NN=C([S-])Nc1ccccc1.COc1ccc(NC([S-])=NN=CC=NN=C([S-])Nc2ccc(OC)cc2)cc1.COc1ccc(NC([S-])=NN=CC=NN=C([S-])Nc2ccc(OC)cc2)cc1.[Cu+2].[Cu+2].[Cu+2].[S-]C(=NN=CC=NN=C([S-])Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1.[S-]C(=NN=CC=NN=C([S-])Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1.[Zn+2].[Zn+2].[Zn+2].[Zn+2].

What is the InChIKey of tricopper;tetrazinc;N'-[3-[[anilino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]-N-methylcarbamimidothioate;N'-[2-[[anilino(sulfido)methylidene]hydrazinylidene]ethylideneamino]-N-ethylcarbamimidothioate;bis(N'-[2-[[(4-chloroanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-chlorophenyl)carbamimidothioate);N-ethyl-N'-[3-[[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]carbamimidothioate;bis(N'-[2-[[(4-methoxyanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-methoxyphenyl)carbamimidothioate)?

The InChIKey is HHPRUCLIEHZHDN-UHFFFAOYSA-A. The full InChI is InChI=1S/2C18H20N6O2S2.2C16H14Cl2N6S2.C13H18N6S2.C12H16N6S2.C9H18N6S2.3Cu.4Zn/c2*1-25-15-7-3-13(4-8-15)21-17(27)23-19-11-12-20-24-18(28)22-14-5-9-16(26-2)10-6-14;2*17-11-1-5-13(6-2-11)21-15(25)23-19-9-10-20-24-16(26)22-14-7-3-12(18)4-8-14;1-9(16-18-12(20)14-3)10(2)17-19-13(21)15-11-7-5-4-6-8-11;1-2-13-11(19)17-14-8-9-15-18-12(20)16-10-6-4-3-5-7-10;1-5-11-9(17)15-13-7(3)6(2)12-14-8(16)10-4;;;;;;;/h2*3-12H,1-2H3,(H2,21,23,27)(H2,22,24,28);2*1-10H,(H2,21,23,25)(H2,22,24,26);4-8H,1-3H3,(H2,14,18,20)(H2,15,19,21);3-9H,2H2,1H3,(H2,13,17,19)(H2,16,18,20);5H2,1-4H3,(H2,10,14,16)(H2,11,15,17);;;;;;;/q;;;;;;;7*+2/p-14.

What are the key properties of tricopper;tetrazinc;N'-[3-[[anilino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]-N-methylcarbamimidothioate;N'-[2-[[anilino(sulfido)methylidene]hydrazinylidene]ethylideneamino]-N-ethylcarbamimidothioate;bis(N'-[2-[[(4-chloroanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-chlorophenyl)carbamimidothioate);N-ethyl-N'-[3-[[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]carbamimidothioate;bis(N'-[2-[[(4-methoxyanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-methoxyphenyl)carbamimidothioate)?

tricopper;tetrazinc;N'-[3-[[anilino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]-N-methylcarbamimidothioate;N'-[2-[[anilino(sulfido)methylidene]hydrazinylidene]ethylideneamino]-N-ethylcarbamimidothioate;bis(N'-[2-[[(4-chloroanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-chlorophenyl)carbamimidothioate);N-ethyl-N'-[3-[[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]carbamimidothioate;bis(N'-[2-[[(4-methoxyanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-methoxyphenyl)carbamimidothioate) has a molecular weight of 3027.21 g/mol, XLogP of 18.32, 37 rotatable bonds, 14 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for tricopper;tetrazinc;N'-[3-[[anilino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]-N-methylcarbamimidothioate;N'-[2-[[anilino(sulfido)methylidene]hydrazinylidene]ethylideneamino]-N-ethylcarbamimidothioate;bis(N'-[2-[[(4-chloroanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-chlorophenyl)carbamimidothioate);N-ethyl-N'-[3-[[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]carbamimidothioate;bis(N'-[2-[[(4-methoxyanilino)-sulfidomethylidene]hydrazinylidene]ethylideneamino]-N-(4-methoxyphenyl)carbamimidothioate) is sourced from PubChem (CID 158481910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).