3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-pyridin-4-ylethyl)propanamide

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-pyridin-4-ylethyl)propanamide Openeye Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[1-(4-pyridyl)ethyl]propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-pyridin-4-ylethyl)propanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-pyridin-4-ylethyl)propanamide Traditional Name: 3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)-N-[1-(4-pyridyl)ethyl]propionamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC(C)C3=CC=NC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC(C)C3=CC=NC=C3

InChI

InChI=1S/C20H23N5O2S/c1-3-27-17-6-4-16(5-7-17)19-23-24-20(28)25(19)13-10-18(26)22-14(2)15-8-11-21-12-9-15/h4-9,11-12,14H,3,10,13H2,1-2H3,(H,22,26)(H,24,28)