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

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-pyrazin-2-yloxyphenyl)propanamide Openeye Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(3-pyrazin-2-yloxyphenyl)propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[3-(2-pyrazinyloxy)phenyl]propanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-pyrazin-2-yloxyphenyl)propanamide Traditional Name: 3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)-N-(3-pyrazin-2-yloxyphenyl)propionamide Formula: C23H22N6O3S MolecularWeight: 462.52418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CC(=CC=C3)OC4=NC=CN=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CC(=CC=C3)OC4=NC=CN=C4

InChI

InChI=1S/C23H22N6O3S/c1-2-31-18-8-6-16(7-9-18)22-27-28-23(33)29(22)13-10-20(30)26-17-4-3-5-19(14-17)32-21-15-24-11-12-25-21/h3-9,11-12,14-15H,2,10,13H2,1H3,(H,26,30)(H,28,33)