2-phenoxy-N-[(2-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]ethanamide

Systemtic Name: 2-phenoxy-N-[(2-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]ethanamide Openeye Name: 2-phenoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]acetamide CAS Name: 2-phenoxy-N-[[(2-propyl-5-tetrazolyl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-phenoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]acetamide Traditional Name: 2-phenoxy-N-[(2-propyltetrazol-5-yl)thiocarbamoyl]acetamide Formula: C13H16N6O2S MolecularWeight: 320.37014

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1N=C(N=N1)NC(=S)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CCCN1N=C(N=N1)NC(=S)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C13H16N6O2S/c1-2-8-19-17-12(16-18-19)15-13(22)14-11(20)9-21-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,14,15,17,20,22)