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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NN=NN3C

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NN=NN3C

InChI

InChI=1S/C12H13N5O3S/c1-7(21-12-14-15-16-17(12)2)11(18)13-8-3-4-9-10(5-8)20-6-19-9/h3-5,7H,6H2,1-2H3,(H,13,18)