2-(4-aminophenyl)sulfanyl-N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)propanamide

Systemtic Name: 2-(4-aminophenyl)sulfanyl-N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)propanamide Openeye Name: 2-(4-aminophenyl)sulfanyl-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide CAS Name: 2-[(4-aminophenyl)thio]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide IUPAC Name: 2-(4-aminophenyl)sulfanyl-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide Traditional Name: 2-[(4-aminophenyl)thio]-N-(5-keto-1-phenyl-2-pyrazolin-3-yl)propionamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NN(C(=O)C1)C2=CC=CC=C2)SC3=CC=C(C=C3)N

Isomeric SMILES

CC(C(=O)NC1=NN(C(=O)C1)C2=CC=CC=C2)SC3=CC=C(C=C3)N

InChI

InChI=1S/C18H18N4O2S/c1-12(25-15-9-7-13(19)8-10-15)18(24)20-16-11-17(23)22(21-16)14-5-3-2-4-6-14/h2-10,12H,11,19H2,1H3,(H,20,21,24)