N-(3-nitrophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

Systemtic Name: N-(3-nitrophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Openeye Name: N-(3-nitrophenyl)-4-(thiazol-4-ylmethylsulfanyl)benzamide CAS Name: N-(3-nitrophenyl)-4-(4-thiazolylmethylthio)benzamide IUPAC Name: N-(3-nitrophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Traditional Name: N-(3-nitrophenyl)-4-(thiazol-4-ylmethylthio)benzamide Formula: C17H13N3O3S2 MolecularWeight: 371.43342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)SCC3=CSC=N3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)SCC3=CSC=N3

InChI

InChI=1S/C17H13N3O3S2/c21-17(19-13-2-1-3-15(8-13)20(22)23)12-4-6-16(7-5-12)25-10-14-9-24-11-18-14/h1-9,11H,10H2,(H,19,21)