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

Systemtic Name: N-[[3-azanyl-4-(3,4-dimethoxyphenyl)-5-oxidanylidene-1H-pyrazol-2-yl]carbothioyl]ethanamide Openeye Name: N-[3-amino-4-(3,4-dimethoxyphenyl)-5-oxo-1H-pyrazole-2-carbothioyl]acetamide CAS Name: N-[[3-amino-4-(3,4-dimethoxyphenyl)-5-oxo-1H-pyrazol-2-yl]-sulfanylidenemethyl]acetamide IUPAC Name: N-[3-amino-4-(3,4-dimethoxyphenyl)-5-oxo-1H-pyrazole-2-carbothioyl]acetamide Traditional Name: N-[5-amino-4-(3,4-dimethoxyphenyl)-3-keto-3-pyrazoline-1-carbothioyl]acetamide Formula: C14H16N4O4S MolecularWeight: 336.36624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)N1C(=C(C(=O)N1)C2=CC(=C(C=C2)OC)OC)N

Isomeric SMILES

CC(=O)NC(=S)N1C(=C(C(=O)N1)C2=CC(=C(C=C2)OC)OC)N

InChI

InChI=1S/C14H16N4O4S/c1-7(19)16-14(23)18-12(15)11(13(20)17-18)8-4-5-9(21-2)10(6-8)22-3/h4-6H,15H2,1-3H3,(H,17,20)(H,16,19,23)