4-[4-ethyl-3-[2-[4-(4-methoxyphenyl)piperazin-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-(4-methoxyphenyl)piperazin-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-(4-methoxyphenyl)piperazin-1-yl]-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-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-ethyl-3-[2-[4-(4-methoxyphenyl)piperazin-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-(4-methoxyphenyl)piperazino]ethyl]thio]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H27N5O3S/c1-3-28-22(17-4-8-19(29)9-5-17)24-25-23(28)32-16-21(30)27-14-12-26(13-15-27)18-6-10-20(31-2)11-7-18/h4-11,24H,3,12-16H2,1-2H3