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

Systemtic Name: 4-[4-methyl-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-methyl-3-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[3-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O2S/c1-24-20(16-7-9-18(27)10-8-16)22-23-21(24)29-15-19(28)26-13-11-25(12-14-26)17-5-3-2-4-6-17/h2-10,22H,11-15H2,1H3