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

Systemtic Name: 4-[4-(3-methoxyphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-(3-methoxyphenyl)-3-[2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-(3-methoxyphenyl)-3-[[2-[(2R)-2-methyl-1-piperidinyl]-2-oxoethyl]thio]-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-(3-methoxyphenyl)-3-[2-[(2R)-2-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-[(2R)-2-methylpiperidino]ethyl]thio]-4-(3-methoxyphenyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2C4=CC(=CC=C4)OC

Isomeric SMILES

C[C@@H]1CCCCN1C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H26N4O3S/c1-16-6-3-4-13-26(16)21(29)15-31-23-25-24-22(17-9-11-19(28)12-10-17)27(23)18-7-5-8-20(14-18)30-2/h5,7-12,14,16,24H,3-4,6,13,15H2,1-2H3/t16-/m1/s1