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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=CC3=C(S2)N(N=C3C)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=CC3=C(S2)N(N=C3C)CC4=CC=CC=C4

InChI

InChI=1S/C21H18N4O3S/c1-13-17(9-6-10-18(13)25(27)28)22-20(26)19-11-16-14(2)23-24(21(16)29-19)12-15-7-4-3-5-8-15/h3-11H,12H2,1-2H3,(H,22,26)