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

Systemtic Name: N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-3-nitro-benzamide Openeye Name: N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-3-nitro-benzamide CAS Name: N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]-3-nitrobenzamide IUPAC Name: N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-3-nitrobenzamide Traditional Name: N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]-3-nitro-benzamide Formula: C11H11N5O3S MolecularWeight: 293.30174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N5O3S/c1-7-12-13-11(20-2)15(7)14-10(17)8-4-3-5-9(6-8)16(18)19/h3-6H,1-2H3,(H,14,17)