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

Systemtic Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-N-(2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-N-(2-methyl-4-nitro-phenyl)acetamide Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C)C

InChI

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