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

Systemtic Name: N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]-3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]-3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide CAS Name: N-[(4-methoxy-3-nitroanilino)-sulfanylidenemethyl]-3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: N-[(4-methoxy-3-nitrophenyl)carbamothioyl]-3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxamide Traditional Name: N-[(4-methoxy-3-nitro-phenyl)thiocarbamoyl]-3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide Formula: C21H17N5O4S2 MolecularWeight: 467.52078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)NC(=S)NC3=CC(=C(C=C3)OC)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NC(=S)NC3=CC(=C(C=C3)OC)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H17N5O4S2/c1-12-15-11-18(32-20(15)25(24-12)14-6-4-3-5-7-14)19(27)23-21(31)22-13-8-9-17(30-2)16(10-13)26(28)29/h3-11H,1-2H3,(H2,22,23,27,31)