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

Systemtic Name: N-[(2-methyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2-methyltetrazol-5-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[(2-methyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2-methyltetrazol-5-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2-methyltetrazol-5-yl)thiocarbamoyl]-piperonylamide Formula: C11H10N6O3S MolecularWeight: 306.3005

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Descriptors Computed from Structure

Canonical SMILES:

CN1N=C(N=N1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN1N=C(N=N1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C11H10N6O3S/c1-17-15-10(14-16-17)13-11(21)12-9(18)6-2-3-7-8(4-6)20-5-19-7/h2-4H,5H2,1H3,(H2,12,13,15,18,21)