3-azanyl-4-(3,4-dimethoxyphenyl)-5-oxidanylidene-N-phenyl-1H-pyrazole-2-carbothioamide

Systemtic Name: 3-azanyl-4-(3,4-dimethoxyphenyl)-5-oxidanylidene-N-phenyl-1H-pyrazole-2-carbothioamide Openeye Name: 3-amino-4-(3,4-dimethoxyphenyl)-5-oxo-N-phenyl-1H-pyrazole-2-carbothioamide CAS Name: 3-amino-4-(3,4-dimethoxyphenyl)-5-oxo-N-phenyl-1H-pyrazole-2-carbothioamide IUPAC Name: 3-amino-4-(3,4-dimethoxyphenyl)-5-oxo-N-phenyl-1H-pyrazole-2-carbothioamide Traditional Name: 5-amino-4-(3,4-dimethoxyphenyl)-3-keto-N-phenyl-3-pyrazoline-1-carbothioamide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N(NC2=O)C(=S)NC3=CC=CC=C3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N(NC2=O)C(=S)NC3=CC=CC=C3)N)OC

InChI

InChI=1S/C18H18N4O3S/c1-24-13-9-8-11(10-14(13)25-2)15-16(19)22(21-17(15)23)18(26)20-12-6-4-3-5-7-12/h3-10H,19H2,1-2H3,(H,20,26)(H,21,23)