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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-piperonyl-propionamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N4O3S/c1-13(19(25)21-11-15-8-9-17-18(10-15)27-12-26-17)28-20-23-22-14(2)24(20)16-6-4-3-5-7-16/h3-10,13H,11-12H2,1-2H3,(H,21,25)