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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-N-piperonyl-propionamide Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SC(C)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)C1=NC(=NN1)SC(C)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H20N4O3S/c1-9(2)14-18-16(20-19-14)24-10(3)15(21)17-7-11-4-5-12-13(6-11)23-8-22-12/h4-6,9-10H,7-8H2,1-3H3,(H,17,21)(H,18,19,20)