4-[4-ethyl-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-ethyl-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-ethyl-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-ethyl-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-ethyl-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-[4-ethyl-3-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)N3CCC(CC3)C

Isomeric SMILES

CCN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)N3CCC(CC3)C

InChI

InChI=1S/C18H24N4O2S/c1-3-22-17(14-4-6-15(23)7-5-14)19-20-18(22)25-12-16(24)21-10-8-13(2)9-11-21/h4-7,13,19H,3,8-12H2,1-2H3