N-[[3-azanyl-4-(3,4-dimethoxyphenyl)-5-oxidanylidene-1H-pyrazol-2-yl]carbothioyl]benzamide

Systemtic Name: N-[[3-azanyl-4-(3,4-dimethoxyphenyl)-5-oxidanylidene-1H-pyrazol-2-yl]carbothioyl]benzamide Openeye Name: N-[3-amino-4-(3,4-dimethoxyphenyl)-5-oxo-1H-pyrazole-2-carbothioyl]benzamide CAS Name: N-[[3-amino-4-(3,4-dimethoxyphenyl)-5-oxo-1H-pyrazol-2-yl]-sulfanylidenemethyl]benzamide IUPAC Name: N-[3-amino-4-(3,4-dimethoxyphenyl)-5-oxo-1H-pyrazole-2-carbothioyl]benzamide Traditional Name: N-[5-amino-4-(3,4-dimethoxyphenyl)-3-keto-3-pyrazoline-1-carbothioyl]benzamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N(NC2=O)C(=S)NC(=O)C3=CC=CC=C3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N(NC2=O)C(=S)NC(=O)C3=CC=CC=C3)N)OC

InChI

InChI=1S/C19H18N4O4S/c1-26-13-9-8-12(10-14(13)27-2)15-16(20)23(22-18(15)25)19(28)21-17(24)11-6-4-3-5-7-11/h3-10H,20H2,1-2H3,(H,22,25)(H,21,24,28)