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

Systemtic Name: N-[(2-butyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-3-methyl-benzamide Openeye Name: N-[(2-butyltetrazol-5-yl)carbamothioyl]-3-methyl-benzamide CAS Name: N-[[(2-butyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[(2-butyltetrazol-5-yl)carbamothioyl]-3-methylbenzamide Traditional Name: N-[(2-butyltetrazol-5-yl)thiocarbamoyl]-3-methyl-benzamide Formula: C14H18N6OS MolecularWeight: 318.39732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C14H18N6OS/c1-3-4-8-20-18-13(17-19-20)16-14(22)15-12(21)11-7-5-6-10(2)9-11/h5-7,9H,3-4,8H2,1-2H3,(H2,15,16,18,21,22)