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

Systemtic Name: N-(2-methyl-6-nitro-phenyl)-2-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: 2-(1-isopropyltetrazol-5-yl)sulfanyl-N-(2-methyl-6-nitro-phenyl)acetamide CAS Name: N-(2-methyl-6-nitrophenyl)-2-[(1-propan-2-yl-5-tetrazolyl)thio]acetamide IUPAC Name: N-(2-methyl-6-nitrophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide Traditional Name: 2-[(1-isopropyltetrazol-5-yl)thio]-N-(2-methyl-6-nitro-phenyl)acetamide Formula: C13H16N6O3S MolecularWeight: 336.36954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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