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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)propanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)propanamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(1,3-benzodioxol-5-ylmethyl)propanamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)propanamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-piperonyl-propionamide Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NNC(=N3)N

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NNC(=N3)N

InChI

InChI=1S/C13H15N5O3S/c1-7(22-13-16-12(14)17-18-13)11(19)15-5-8-2-3-9-10(4-8)21-6-20-9/h2-4,7H,5-6H2,1H3,(H,15,19)(H3,14,16,17,18)