3-[(Z)-8-oxidanylheptadec-11-enyl]-4-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(Z)-8-oxidanylheptadec-11-enyl]-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(Z)-8-hydroxyheptadec-11-enyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[(Z)-8-hydroxyheptadec-11-enyl]-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(Z)-8-hydroxyheptadec-11-enyl]-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(Z)-8-hydroxyheptadec-11-enyl]-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C25H39N3OS MolecularWeight: 429.66166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCCC(CCCCCCCC1=NNC(=S)N1C2=CC=CC=C2)O

Isomeric SMILES

CCCCC/C=C\CCC(CCCCCCCC1=NNC(=S)N1C2=CC=CC=C2)O

InChI

InChI=1S/C25H39N3OS/c1-2-3-4-5-6-8-14-19-23(29)20-15-9-7-10-16-21-24-26-27-25(30)28(24)22-17-12-11-13-18-22/h6,8,11-13,17-18,23,29H,2-5,7,9-10,14-16,19-21H2,1H3,(H,27,30)/b8-6-