N-(2,3-dimethyl-6-nitro-phenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O3S/c1-8-5-6-11(19(21)22)13(9(8)2)15-12(20)7-23-14-17-16-10(3)18(14)4/h5-6H,7H2,1-4H3,(H,15,20)