N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: 5-nitro-N-[5-phenyl-4-(p-tolyl)thiazol-2-yl]benzothiophene-2-carboxamide CAS Name: N-[4-(4-methylphenyl)-5-phenyl-2-thiazolyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: 5-nitro-N-[5-phenyl-4-(p-tolyl)thiazol-2-yl]benzothiophene-2-carboxamide Formula: C25H17N3O3S2 MolecularWeight: 471.55078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C25H17N3O3S2/c1-15-7-9-16(10-8-15)22-23(17-5-3-2-4-6-17)33-25(26-22)27-24(29)21-14-18-13-19(28(30)31)11-12-20(18)32-21/h2-14H,1H3,(H,26,27,29)