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

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

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=C(N3C)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=C(N3C)C4=CC=CC=C4

InChI

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