3-(ethylcarbamothioylamino)-5-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzoic acid

Systemtic Name: 3-(ethylcarbamothioylamino)-5-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzoic acid Openeye Name: 3-(ethylcarbamothioylamino)-5-(5-thioxo-2H-tetrazol-1-yl)benzoic acid CAS Name: 3-[[ethylamino(sulfanylidene)methyl]amino]-5-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic acid IUPAC Name: 3-(ethylcarbamothioylamino)-5-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic acid Traditional Name: 3-(ethylthiocarbamoylamino)-5-(5-thioxo-2H-tetrazol-1-yl)benzoic acid Formula: C11H12N6O2S2 MolecularWeight: 324.38198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=CC(=CC(=C1)N2C(=S)N=NN2)C(=O)O

Isomeric SMILES

CCNC(=S)NC1=CC(=CC(=C1)N2C(=S)N=NN2)C(=O)O

InChI

InChI=1S/C11H12N6O2S2/c1-2-12-10(20)13-7-3-6(9(18)19)4-8(5-7)17-11(21)14-15-16-17/h3-5H,2H2,1H3,(H,18,19)(H2,12,13,20)(H,14,16,21)