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

Systemtic Name: N-(2,4-dimethyl-5-nitro-phenyl)-3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: N-(2,4-dimethyl-5-nitro-phenyl)-3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide CAS Name: N-(2,4-dimethyl-5-nitrophenyl)-3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: N-(2,4-dimethyl-5-nitrophenyl)-3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxamide Traditional Name: N-(2,4-dimethyl-5-nitro-phenyl)-3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H18N4O3S/c1-12-9-13(2)18(25(27)28)11-17(12)22-20(26)19-10-16-14(3)23-24(21(16)29-19)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,22,26)