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

Systemtic Name: 3-ethoxy-N-[(2-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]benzamide Openeye Name: 3-ethoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide CAS Name: 3-ethoxy-N-[[(2-propyl-5-tetrazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-ethoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide Traditional Name: 3-ethoxy-N-[(2-propyltetrazol-5-yl)thiocarbamoyl]benzamide Formula: C14H18N6O2S MolecularWeight: 334.39672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N6O2S/c1-3-8-20-18-13(17-19-20)16-14(23)15-12(21)10-6-5-7-11(9-10)22-4-2/h5-7,9H,3-4,8H2,1-2H3,(H2,15,16,18,21,23)