(6Z)-6-[5-[2-(4-chlorophenyl)sulfanylpyridin-3-yl]-1,2-dihydropyrazol-3-ylidene]-4-methyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-[5-[2-(4-chlorophenyl)sulfanylpyridin-3-yl]-1,2-dihydropyrazol-3-ylidene]-4-methyl-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[5-[2-(4-chlorophenyl)sulfanyl-3-pyridyl]-1,2-dihydropyrazol-3-ylidene]-4-methyl-cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[5-[2-[(4-chlorophenyl)thio]-3-pyridinyl]-1,2-dihydropyrazol-3-ylidene]-4-methyl-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[5-[2-(4-chlorophenyl)sulfanylpyridin-3-yl]-1,2-dihydropyrazol-3-ylidene]-4-methylcyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[5-[2-[(4-chlorophenyl)thio]-3-pyridyl]-3-pyrazolin-3-ylidene]-4-methyl-cyclohexa-2,4-dien-1-one Formula: C21H16ClN3OS MolecularWeight: 393.88924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NN2)C3=C(N=CC=C3)SC4=CC=C(C=C4)Cl)C(=O)C=C1

Isomeric SMILES

CC1=C/C(=C/2\C=C(NN2)C3=C(N=CC=C3)SC4=CC=C(C=C4)Cl)/C(=O)C=C1

InChI

InChI=1S/C21H16ClN3OS/c1-13-4-9-20(26)17(11-13)19-12-18(24-25-19)16-3-2-10-23-21(16)27-15-7-5-14(22)6-8-15/h2-12,24-25H,1H3/b19-17-