3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide Openeye Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-methyl-N-[[2-(1-piperidyl)phenyl]methyl]propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-N-[[2-(1-piperidinyl)phenyl]methyl]propanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide Traditional Name: N-methyl-N-(2-piperidinobenzyl)-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C26H33N5O2S MolecularWeight: 479.63752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N(C)CC3=CC=CC=C3N4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N(C)CC3=CC=CC=C3N4CCCCC4

InChI

InChI=1S/C26H33N5O2S/c1-3-33-22-13-11-20(12-14-22)25-27-28-26(34)31(25)18-15-24(32)29(2)19-21-9-5-6-10-23(21)30-16-7-4-8-17-30/h5-6,9-14H,3-4,7-8,15-19H2,1-2H3,(H,28,34)