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

Systemtic Name: 3-methyl-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-4-nitro-benzamide Openeye Name: 3-methyl-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-4-nitro-benzamide CAS Name: 3-methyl-N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]-4-nitrobenzamide IUPAC Name: 3-methyl-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-4-nitrobenzamide Traditional Name: 3-methyl-N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]-4-nitro-benzamide Formula: C12H13N5O3S MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NN2C(=NN=C2SC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NN2C(=NN=C2SC)C)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O3S/c1-7-6-9(4-5-10(7)17(19)20)11(18)15-16-8(2)13-14-12(16)21-3/h4-6H,1-3H3,(H,15,18)