N-(3-methyl-4-nitro-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-methyl-4-nitro-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-methyl-4-nitro-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-methyl-4-nitrophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-methyl-4-nitrophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-methyl-4-nitro-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C12H13N5O3S MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NNC(=N2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NNC(=N2)C)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O3S/c1-7-5-9(3-4-10(7)17(19)20)14-11(18)6-21-12-13-8(2)15-16-12/h3-5H,6H2,1-2H3,(H,14,18)(H,13,15,16)