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

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-acetamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[(1-methyl-5-tetrazolyl)thio]acetamide IUPAC Name: N-(2,3-dimethyl-6-nitrophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide Traditional Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[(1-methyltetrazol-5-yl)thio]acetamide Formula: C12H14N6O3S MolecularWeight: 322.34296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=NN2C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=NN2C)C

InChI

InChI=1S/C12H14N6O3S/c1-7-4-5-9(18(20)21)11(8(7)2)13-10(19)6-22-12-14-15-16-17(12)3/h4-5H,6H2,1-3H3,(H,13,19)