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

Systemtic Name: 4-[4-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-methyl-3-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-methyl-3-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[3-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2C

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2C

InChI

InChI=1S/C17H22N4O2S/c1-12-7-9-21(10-8-12)15(23)11-24-17-19-18-16(20(17)2)13-3-5-14(22)6-4-13/h3-6,12,18H,7-11H2,1-2H3