4-(3-octylsulfanyl-4-propyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(3-octylsulfanyl-4-propyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 4-(3-octylsulfanyl-4-propyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 4-[3-(octylthio)-4-propyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(3-octylsulfanyl-4-propyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 4-[3-(octylthio)-4-propyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C19H29N3OS MolecularWeight: 347.51806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NNC(=C2C=CC(=O)C=C2)N1CCC

Isomeric SMILES

CCCCCCCCSC1=NNC(=C2C=CC(=O)C=C2)N1CCC

InChI

InChI=1S/C19H29N3OS/c1-3-5-6-7-8-9-15-24-19-21-20-18(22(19)14-4-2)16-10-12-17(23)13-11-16/h10-13,20H,3-9,14-15H2,1-2H3