4-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzamide

Systemtic Name: 4-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzamide Openeye Name: 4-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzamide CAS Name: 4-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-3-nitrobenzamide IUPAC Name: 4-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitrobenzamide Traditional Name: 4-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-3-nitro-benzamide Formula: C18H16N6O4S MolecularWeight: 412.42244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC(=CC=C2)NC(=O)C)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C2=CC(=CC=C2)NC(=O)C)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O4S/c1-10-21-22-18(23(10)14-5-3-4-13(9-14)20-11(2)25)29-16-7-6-12(17(19)26)8-15(16)24(27)28/h3-9H,1-2H3,(H2,19,26)(H,20,25)