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

Systemtic Name: N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]-5-nitro-thiophene-2-carboxamide Openeye Name: 5-nitro-N-[5-phenyl-4-(p-tolyl)thiazol-2-yl]thiophene-2-carboxamide CAS Name: N-[4-(4-methylphenyl)-5-phenyl-2-thiazolyl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide Traditional Name: 5-nitro-N-[5-phenyl-4-(p-tolyl)thiazol-2-yl]thiophene-2-carboxamide Formula: C21H15N3O3S2 MolecularWeight: 421.4921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O3S2/c1-13-7-9-14(10-8-13)18-19(15-5-3-2-4-6-15)29-21(22-18)23-20(25)16-11-12-17(28-16)24(26)27/h2-12H,1H3,(H,22,23,25)