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

Systemtic Name: 5-azanyl-4-(3,4-dimethoxyphenyl)-3-oxidanylidene-N-(phenylmethyl)-1H-pyrazole-2-carbothioamide Openeye Name: 5-amino-N-benzyl-4-(3,4-dimethoxyphenyl)-3-oxo-1H-pyrazole-2-carbothioamide CAS Name: 5-amino-4-(3,4-dimethoxyphenyl)-3-oxo-N-(phenylmethyl)-1H-pyrazole-2-carbothioamide IUPAC Name: 5-amino-N-benzyl-4-(3,4-dimethoxyphenyl)-3-oxo-1H-pyrazole-2-carbothioamide Traditional Name: 3-amino-N-benzyl-4-(3,4-dimethoxyphenyl)-5-keto-3-pyrazoline-1-carbothioamide Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(NN(C2=O)C(=S)NCC3=CC=CC=C3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(NN(C2=O)C(=S)NCC3=CC=CC=C3)N)OC

InChI

InChI=1S/C19H20N4O3S/c1-25-14-9-8-13(10-15(14)26-2)16-17(20)22-23(18(16)24)19(27)21-11-12-6-4-3-5-7-12/h3-10,22H,11,20H2,1-2H3,(H,21,27)