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

Systemtic Name: ethyl N-[3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]carbamate; tetrabutylazanium Openeye Name: ethyl N-[3-(5-thioxo-2H-tetrazol-1-yl)phenyl]carbamate; tetrabutylammonium CAS Name: N-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]carbamic acid ethyl ester; tetrabutylammonium IUPAC Name: ethyl N-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]carbamate; tetrabutylazanium Traditional Name: tetrabutylammonium; N-[3-(5-thioxo-2H-tetrazol-1-yl)phenyl]carbamic acid ethyl ester Formula: C26H47N6O2S+ MolecularWeight: 507.75538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CCOC(=O)NC1=CC=CC(=C1)N2C(=S)N=NN2

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CCOC(=O)NC1=CC=CC(=C1)N2C(=S)N=NN2

InChI

InChI=1S/C16H36N.C10H11N5O2S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-17-10(16)11-7-4-3-5-8(6-7)15-9(18)12-13-14-15/h5-16H2,1-4H3;3-6H,2H2,1H3,(H,11,16)(H,12,14,18)/q+1;