butyl N-[3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]carbamate

Systemtic Name: butyl N-[3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]carbamate Openeye Name: butyl N-[3-(5-thioxo-2H-tetrazol-1-yl)phenyl]carbamate CAS Name: N-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]carbamic acid butyl ester IUPAC Name: butyl N-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]carbamate Traditional Name: N-[3-(5-thioxo-2H-tetrazol-1-yl)phenyl]carbamic acid butyl ester Formula: C12H15N5O2S MolecularWeight: 293.3448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC1=CC=CC(=C1)N2C(=S)N=NN2

Isomeric SMILES

CCCCOC(=O)NC1=CC=CC(=C1)N2C(=S)N=NN2

InChI

InChI=1S/C12H15N5O2S/c1-2-3-7-19-12(18)13-9-5-4-6-10(8-9)17-11(20)14-15-16-17/h4-6,8H,2-3,7H2,1H3,(H,13,18)(H,14,16,20)