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

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide Openeye Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-methyl-N-[[4-(1-piperidyl)phenyl]methyl]propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-N-[[4-(1-piperidinyl)phenyl]methyl]propanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide Traditional Name: N-methyl-N-(4-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=C(C=C3)N4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N(C)CC3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C26H33N5O2S/c1-3-33-23-13-9-21(10-14-23)25-27-28-26(34)31(25)18-15-24(32)29(2)19-20-7-11-22(12-8-20)30-16-5-4-6-17-30/h7-14H,3-6,15-19H2,1-2H3,(H,28,34)