2-acetamidopropoxy-[3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]carbamic acid

Systemtic Name: 2-acetamidopropoxy-[3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]carbamic acid Openeye Name: 2-acetamidopropoxy-[3-(5-thioxo-2H-tetrazol-1-yl)phenyl]carbamic acid CAS Name: 2-acetamidopropoxy-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]carbamic acid IUPAC Name: 2-acetamidopropoxy-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]carbamic acid Traditional Name: 2-acetamidopropoxy-[3-(5-thioxo-2H-tetrazol-1-yl)phenyl]carbamic acid Formula: C13H16N6O4S MolecularWeight: 352.36894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CON(C1=CC=CC(=C1)N2C(=S)N=NN2)C(=O)O)NC(=O)C

Isomeric SMILES

CC(CON(C1=CC=CC(=C1)N2C(=S)N=NN2)C(=O)O)NC(=O)C

InChI

InChI=1S/C13H16N6O4S/c1-8(14-9(2)20)7-23-19(13(21)22)11-5-3-4-10(6-11)18-12(24)15-16-17-18/h3-6,8H,7H2,1-2H3,(H,14,20)(H,21,22)(H,15,17,24)