N-(1,3-benzodioxol-5-yl)-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-(1-methyltetrazol-5-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[(1-methyl-5-tetrazolyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[(1-methyltetrazol-5-yl)thio]propionamide Formula: C12H13N5O3S MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN1C(=NN=N1)SCCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C12H13N5O3S/c1-17-12(14-15-16-17)21-5-4-11(18)13-8-2-3-9-10(6-8)20-7-19-9/h2-3,6H,4-5,7H2,1H3,(H,13,18)