N-(2,3-dimethyl-6-nitro-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O3S/c1-8-4-5-10(18(20)21)12(9(8)2)15-11(19)6-22-13-16-14-7-17(13)3/h4-5,7H,6H2,1-3H3,(H,15,19)