4-(3-dodecan-2-ylsulfanyl-2-tetradecyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(3-dodecan-2-ylsulfanyl-2-tetradecyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 4-[3-(1-methylundecylsulfanyl)-2-tetradecyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[3-(dodecan-2-ylthio)-2-tetradecyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(3-dodecan-2-ylsulfanyl-2-tetradecyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 4-[3-(1-methylundecylthio)-2-myristyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C34H59N3OS MolecularWeight: 557.91676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCN1C(=NC(=C2C=CC(=O)C=C2)N1)SC(C)CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCN1C(=NC(=C2C=CC(=O)C=C2)N1)SC(C)CCCCCCCCCC

InChI

InChI=1S/C34H59N3OS/c1-4-6-8-10-12-14-15-16-17-19-21-23-29-37-34(35-33(36-37)31-25-27-32(38)28-26-31)39-30(3)24-22-20-18-13-11-9-7-5-2/h25-28,30,36H,4-24,29H2,1-3H3