3-methyl-N-[(4-methylphenyl)carbamothioyl]-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide

Systemtic Name: 3-methyl-N-[(4-methylphenyl)carbamothioyl]-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: 3-methyl-1-phenyl-N-(p-tolylcarbamothioyl)thieno[2,3-c]pyrazole-5-carboxamide CAS Name: 3-methyl-N-[(4-methylanilino)-sulfanylidenemethyl]-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: 3-methyl-N-[(4-methylphenyl)carbamothioyl]-1-phenylthieno[2,3-c]pyrazole-5-carboxamide Traditional Name: 3-methyl-1-phenyl-N-(p-tolylthiocarbamoyl)thieno[2,3-c]pyrazole-5-carboxamide Formula: C21H18N4OS2 MolecularWeight: 406.52382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4OS2/c1-13-8-10-15(11-9-13)22-21(27)23-19(26)18-12-17-14(2)24-25(20(17)28-18)16-6-4-3-5-7-16/h3-12H,1-2H3,(H2,22,23,26,27)