6-[3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[3-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[3-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-phenyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[3-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[3-[(2-keto-2-piperidino-ethyl)thio]-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C21H22N4O2S MolecularWeight: 394.48998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NNC(=C3C=CC=CC3=O)N2C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NNC(=C3C=CC=CC3=O)N2C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S/c26-18-12-6-5-11-17(18)20-22-23-21(25(20)16-9-3-1-4-10-16)28-15-19(27)24-13-7-2-8-14-24/h1,3-6,9-12,22H,2,7-8,13-15H2