(2R)-N-(1,3-benzodioxol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(1H-1,2,4-triazol-5-ylthio)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(1H-1,2,4-triazol-5-ylthio)propionamide Formula: C12H12N4O3S MolecularWeight: 292.31368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC=NN3

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC=NN3

InChI

InChI=1S/C12H12N4O3S/c1-7(20-12-13-5-14-16-12)11(17)15-8-2-3-9-10(4-8)19-6-18-9/h2-5,7H,6H2,1H3,(H,15,17)(H,13,14,16)/t7-/m1/s1