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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-piperonyl-propionamide Formula: C24H21N5O3S MolecularWeight: 459.52024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C24H21N5O3S/c1-16(23(30)26-13-17-9-10-20-21(12-17)32-15-31-20)33-24-28-27-22(18-6-5-11-25-14-18)29(24)19-7-3-2-4-8-19/h2-12,14,16H,13,15H2,1H3,(H,26,30)