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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-piperonyl-propionamide Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CN=CC=C5

InChI

InChI=1S/C25H23N5O3S/c1-16-6-3-4-8-20(16)30-23(19-7-5-11-26-14-19)28-29-25(30)34-17(2)24(31)27-13-18-9-10-21-22(12-18)33-15-32-21/h3-12,14,17H,13,15H2,1-2H3,(H,27,31)