(4Z)-3-oxidanyl-4-[[(2-phenyl-3,4-dihydropyrazol-5-yl)amino]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: (4Z)-3-oxidanyl-4-[[(2-phenyl-3,4-dihydropyrazol-5-yl)amino]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-3-hydroxy-4-[[(2-phenyl-3,4-dihydropyrazol-5-yl)amino]-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: (4Z)-3-hydroxy-4-[mercapto-[(2-phenyl-3,4-dihydropyrazol-5-yl)amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-3-hydroxy-4-[[(2-phenyl-3,4-dihydropyrazol-5-yl)amino]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: (4Z)-3-hydroxy-4-[mercapto-[(1-phenyl-2-pyrazolin-3-yl)amino]methylene]cyclohexa-2,5-dien-1-one Formula: C16H15N3O2S MolecularWeight: 313.3742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1NC(=C2C=CC(=O)C=C2O)S)C3=CC=CC=C3

Isomeric SMILES

C1CN(N=C1N/C(=C/2\C=CC(=O)C=C2O)/S)C3=CC=CC=C3

InChI

InChI=1S/C16H15N3O2S/c20-12-6-7-13(14(21)10-12)16(22)17-15-8-9-19(18-15)11-4-2-1-3-5-11/h1-7,10,21-22H,8-9H2,(H,17,18)/b16-13-