4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-[2-[4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1H-1,2,4-triazole-5-thione

C34H30N8O2S2 — CID 10675710

IUPAC4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-[2-[4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1H-1,2,4-triazole-5-thione
SMILESOC(/C(=N\n1c(CCc2n[nH]c(=S)n2/N=C(/c2ccccc2)C(O)c2ccccc2)n[nH]c1=S)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H30N8O2S2/c43-31(25-17-9-3-10-18-25)29(23-13-5-1-6-14-23)39-41-27(35-37-33(41)45)21-22-28-36-38-34(46)42(28)40-30(24-15-7-2-8-16-24)32(44)26-19-11-4-12-20-26/h1-20,31-32,43-44H,21-22H2,(H,37,45)(H,38,46)/b39-29-,40-30-
InChIKeyLNUADEFRLSOOGL-LDIFZFAOSA-N
MW646.80 g/mol
LogP5.95
Rot. Bonds11

About 4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-[2-[4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1H-1,2,4-triazole-5-thione

4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-[2-[4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1H-1,2,4-triazole-5-thione (PubChem CID 10675710) has the molecular formula C34H30N8O2S2 and a molecular weight of 646.80 g/mol. Its IUPAC name is 4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-[2-[4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-[2-[4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1H-1,2,4-triazole-5-thione
PubChem CID10675710
Molecular FormulaC34H30N8O2S2
Molecular Weight646.80 g/mol
Exact Mass646.19
IUPAC Name4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-[2-[4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1H-1,2,4-triazole-5-thione
SMILESOC(/C(=N\n1c(CCc2n[nH]c(=S)n2/N=C(/c2ccccc2)C(O)c2ccccc2)n[nH]c1=S)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H30N8O2S2/c43-31(25-17-9-3-10-18-25)29(23-13-5-1-6-14-23)39-41-27(35-37-33(41)45)21-22-28-36-38-34(46)42(28)40-30(24-15-7-2-8-16-24)32(44)26-19-11-4-12-20-26/h1-20,31-32,43-44H,21-22H2,(H,37,45)(H,38,46)/b39-29-,40-30-
InChIKeyLNUADEFRLSOOGL-LDIFZFAOSA-N
XLogP5.95
TPSA132.40 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.80
LogP ≤ 55.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-[2-[4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1H-1,2,4-triazole-5-thione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-[2-[4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-[2-[4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1H-1,2,4-triazole-5-thione (CID 10675710) is 4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-[2-[4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-[2-[4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-[2-[4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1H-1,2,4-triazole-5-thione is OC(/C(=N\n1c(CCc2n[nH]c(=S)n2/N=C(/c2ccccc2)C(O)c2ccccc2)n[nH]c1=S)c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-[2-[4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1H-1,2,4-triazole-5-thione?
The InChIKey is LNUADEFRLSOOGL-LDIFZFAOSA-N. The full InChI is InChI=1S/C34H30N8O2S2/c43-31(25-17-9-3-10-18-25)29(23-13-5-1-6-14-23)39-41-27(35-37-33(41)45)21-22-28-36-38-34(46)42(28)40-30(24-15-7-2-8-16-24)32(44)26-19-11-4-12-20-26/h1-20,31-32,43-44H,21-22H2,(H,37,45)(H,38,46)/b39-29-,40-30-.
What are the key properties of 4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-[2-[4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1H-1,2,4-triazole-5-thione?
4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-[2-[4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1H-1,2,4-triazole-5-thione has a molecular weight of 646.80 g/mol, XLogP of 5.95, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-[2-[4-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 10675710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).