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

Systemtic Name: 6-[4-ethyl-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-ethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[4-ethyl-3-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-ethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[4-ethyl-3-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC=CC2=O)NN=C1SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=C2C=CC=CC2=O)NN=C1SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2S/c1-2-27-21(18-10-6-7-11-19(18)28)23-24-22(27)30-16-20(29)26-14-12-25(13-15-26)17-8-4-3-5-9-17/h3-11,23H,2,12-16H2,1H3