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

Systemtic Name: 6-[3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-4-prop-2-enyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-allyl-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-[3-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-4-prop-2-enyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-4-prop-2-enyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[4-allyl-3-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O2S/c1-2-12-28-22(19-10-6-7-11-20(19)29)24-25-23(28)31-17-21(30)27-15-13-26(14-16-27)18-8-4-3-5-9-18/h2-11,24H,1,12-17H2