N-(4-aminocarbonylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(4-aminocarbonylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(4-carbamoylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-(4-carbamoylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-(4-carbamoylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(4-carbamoylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C17H14N6O4S MolecularWeight: 398.39586

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O4S/c1-22-9-19-21-17(22)28-14-7-4-11(8-13(14)23(26)27)16(25)20-12-5-2-10(3-6-12)15(18)24/h2-9H,1H3,(H2,18,24)(H,20,25)