4-methoxy-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-3-nitro-benzamide

Systemtic Name: 4-methoxy-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-3-nitro-benzamide Openeye Name: 4-methoxy-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-3-nitro-benzamide CAS Name: 4-methoxy-N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-3-nitrobenzamide Traditional Name: 4-methoxy-N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]-3-nitro-benzamide Formula: C12H13N5O4S MolecularWeight: 323.32772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])SC

Isomeric SMILES

CC1=NN=C(N1NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])SC

InChI

InChI=1S/C12H13N5O4S/c1-7-13-14-12(22-3)16(7)15-11(18)8-4-5-10(21-2)9(6-8)17(19)20/h4-6H,1-3H3,(H,15,18)