N-[(2-methyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[(2-methyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide CAS Name: N-[[(2-methyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(2-methyltetrazol-5-yl)carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[(2-methyltetrazol-5-yl)thiocarbamoyl]benzamide Formula: C13H16N6OS MolecularWeight: 304.37074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NN(N=N2)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NN(N=N2)C

InChI

InChI=1S/C13H16N6OS/c1-8(2)9-4-6-10(7-5-9)11(20)14-13(21)15-12-16-18-19(3)17-12/h4-8H,1-3H3,(H2,14,15,17,20,21)