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

Systemtic Name: 4-[3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-benzyl-3-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[3-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-benzyl-3-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-benzyl-3-[(2-keto-2-piperidino-ethyl)thio]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2S/c27-19-11-9-18(10-12-19)21-23-24-22(26(21)15-17-7-3-1-4-8-17)29-16-20(28)25-13-5-2-6-14-25/h1,3-4,7-12,23H,2,5-6,13-16H2