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

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-methyl-3-nitrophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-methyl-3-nitro-phenyl)-2-[(4-methyl-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=C(C=C1)NC(=O)CSC2=NN=CN2C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=CN2C)[N+](=O)[O-]

InChI

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