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

Systemtic Name: N-[(2-methyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-3-propan-2-yloxy-benzamide Openeye Name: 3-isopropoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide CAS Name: N-[[(2-methyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[(2-methyltetrazol-5-yl)carbamothioyl]-3-propan-2-yloxybenzamide Traditional Name: 3-isopropoxy-N-[(2-methyltetrazol-5-yl)thiocarbamoyl]benzamide Formula: C13H16N6O2S MolecularWeight: 320.37014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=NN(N=N2)C

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=NN(N=N2)C

InChI

InChI=1S/C13H16N6O2S/c1-8(2)21-10-6-4-5-9(7-10)11(20)14-13(22)15-12-16-18-19(3)17-12/h4-8H,1-3H3,(H2,14,15,17,20,22)