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

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-naphthalen-2-yloxyethyl)propanamide Openeye Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[2-(2-naphthyloxy)ethyl]propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[2-(2-naphthalenyloxy)ethyl]propanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-naphthalen-2-yloxyethyl)propanamide Traditional Name: N-[2-(2-naphthoxy)ethyl]-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCCOC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCCOC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H26N4O3S/c1-2-31-21-10-8-19(9-11-21)24-27-28-25(33)29(24)15-13-23(30)26-14-16-32-22-12-7-18-5-3-4-6-20(18)17-22/h3-12,17H,2,13-16H2,1H3,(H,26,30)(H,28,33)