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

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-naphthalen-1-ylethyl)propanamide Openeye Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[2-(1-naphthyl)ethyl]propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[2-(1-naphthalenyl)ethyl]propanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-naphthalen-1-ylethyl)propanamide Traditional Name: N-[2-(1-naphthyl)ethyl]-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H26N4O2S/c1-2-31-21-12-10-20(11-13-21)24-27-28-25(32)29(24)17-15-23(30)26-16-14-19-8-5-7-18-6-3-4-9-22(18)19/h3-13H,2,14-17H2,1H3,(H,26,30)(H,28,32)