N-[(2-methyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[(2-methyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(2-methyltetrazol-5-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[(2-methyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(2-methyltetrazol-5-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(2-methyltetrazol-5-yl)thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C12H12N6O3S MolecularWeight: 320.32708

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Descriptors Computed from Structure

Canonical SMILES:

CN1N=C(N=N1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CN1N=C(N=N1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C12H12N6O3S/c1-18-16-11(15-17-18)14-12(22)13-10(19)7-2-3-8-9(6-7)21-5-4-20-8/h2-3,6H,4-5H2,1H3,(H2,13,14,16,19,22)