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

Systemtic Name: 6-[4-(2-methoxyphenyl)-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-(2-methoxyphenyl)-3-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[4-(2-methoxyphenyl)-3-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-(2-methoxyphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[3-[(2-keto-2-piperidino-ethyl)thio]-4-(2-methoxyphenyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=C3C=CC=CC3=O)NN=C2SCC(=O)N4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(=C3C=CC=CC3=O)NN=C2SCC(=O)N4CCCCC4

InChI

InChI=1S/C22H24N4O3S/c1-29-19-12-6-4-10-17(19)26-21(16-9-3-5-11-18(16)27)23-24-22(26)30-15-20(28)25-13-7-2-8-14-25/h3-6,9-12,23H,2,7-8,13-15H2,1H3