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

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2-phenylmethoxypyridin-4-yl)methyl]propanamide Openeye Name: N-[(2-benzyloxy-4-pyridyl)methyl]-3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]propanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2-phenylmethoxypyridin-4-yl)methyl]propanamide Traditional Name: N-[(2-benzoxy-4-pyridyl)methyl]-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C26H27N5O3S MolecularWeight: 489.58928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCC3=CC(=NC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCC3=CC(=NC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27N5O3S/c1-2-33-22-10-8-21(9-11-22)25-29-30-26(35)31(25)15-13-23(32)28-17-20-12-14-27-24(16-20)34-18-19-6-4-3-5-7-19/h3-12,14,16H,2,13,15,17-18H2,1H3,(H,28,32)(H,30,35)