1,3-dimethyl-N-[(3-phenoxyphenyl)carbamothioyl]thieno[2,3-c]pyrazole-5-carboxamide

Systemtic Name: 1,3-dimethyl-N-[(3-phenoxyphenyl)carbamothioyl]thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: 1,3-dimethyl-N-[(3-phenoxyphenyl)carbamothioyl]thieno[2,3-c]pyrazole-5-carboxamide CAS Name: 1,3-dimethyl-N-[(3-phenoxyanilino)-sulfanylidenemethyl]-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: 1,3-dimethyl-N-[(3-phenoxyphenyl)carbamothioyl]thieno[2,3-c]pyrazole-5-carboxamide Traditional Name: 1,3-dimethyl-N-[(3-phenoxyphenyl)thiocarbamoyl]thieno[2,3-c]pyrazole-5-carboxamide Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)NC(=S)NC3=CC(=CC=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NC(=S)NC3=CC(=CC=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C21H18N4O2S2/c1-13-17-12-18(29-20(17)25(2)24-13)19(26)23-21(28)22-14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12H,1-2H3,(H2,22,23,26,28)