2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(3-nitrophenyl)propanamide

Systemtic Name: 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(3-nitrophenyl)propanamide Openeye Name: 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-nitrophenyl)propanamide CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]-N-(3-nitrophenyl)propanamide IUPAC Name: 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-nitrophenyl)propanamide Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]-N-(3-nitrophenyl)propionamide Formula: C11H12N6O3S MolecularWeight: 308.31638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=NN2C

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=NN2C

InChI

InChI=1S/C11H12N6O3S/c1-7(21-11-13-14-15-16(11)2)10(18)12-8-4-3-5-9(6-8)17(19)20/h3-7H,1-2H3,(H,12,18)