N-[4-(2,4-dimethylphenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[4-(2,4-dimethylphenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide Openeye Name: N-[4-(2,4-dimethylphenyl)-5-(4-nitrophenyl)thiazol-2-yl]thiophene-2-carboxamide CAS Name: N-[4-(2,4-dimethylphenyl)-5-(4-nitrophenyl)-2-thiazolyl]-2-thiophenecarboxamide IUPAC Name: N-[4-(2,4-dimethylphenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide Traditional Name: N-[4-(2,4-dimethylphenyl)-5-(4-nitrophenyl)thiazol-2-yl]thiophene-2-carboxamide Formula: C22H17N3O3S2 MolecularWeight: 435.51868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC=CS3)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC=CS3)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H17N3O3S2/c1-13-5-10-17(14(2)12-13)19-20(15-6-8-16(9-7-15)25(27)28)30-22(23-19)24-21(26)18-4-3-11-29-18/h3-12H,1-2H3,(H,23,24,26)