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

Systemtic Name: 2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethyl-6-nitro-phenyl)ethanamide Openeye Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethyl-6-nitro-phenyl)acetamide CAS Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-N-(2,3-dimethyl-6-nitrophenyl)acetamide IUPAC Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethyl-6-nitrophenyl)acetamide Traditional Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-N-(2,3-dimethyl-6-nitro-phenyl)acetamide Formula: C13H16N6O3S MolecularWeight: 336.36954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2N)C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2N)C)C

InChI

InChI=1S/C13H16N6O3S/c1-7-4-5-10(19(21)22)12(8(7)2)15-11(20)6-23-13-17-16-9(3)18(13)14/h4-5H,6,14H2,1-3H3,(H,15,20)