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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-piperonyl-propionamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=C(N3C4CC4)C5=CC=NC=C5

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=C(N3C4CC4)C5=CC=NC=C5

InChI

InChI=1S/C21H21N5O3S/c1-13(20(27)23-11-14-2-5-17-18(10-14)29-12-28-17)30-21-25-24-19(26(21)16-3-4-16)15-6-8-22-9-7-15/h2,5-10,13,16H,3-4,11-12H2,1H3,(H,23,27)