2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-yl)propanamide

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-yl)propanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-yl)propanamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(1,3-benzodioxol-5-yl)propanamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-yl)propanamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(1,3-benzodioxol-5-yl)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=NNC(=N3)N

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NNC(=N3)N

InChI

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