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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-N-piperonyl-acetamide Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O3S/c1-9(2)14-17-15(19-18-14)23-7-13(20)16-6-10-3-4-11-12(5-10)22-8-21-11/h3-5,9H,6-8H2,1-2H3,(H,16,20)(H,17,18,19)