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

Systemtic Name: N-[(4-ethoxyphenyl)methyl]-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-propanamide Openeye Name: N-[(4-ethoxyphenyl)methyl]-3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-methyl-propanamide CAS Name: N-[(4-ethoxyphenyl)methyl]-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methylpropanamide IUPAC Name: N-[(4-ethoxyphenyl)methyl]-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methylpropanamide Traditional Name: N-(4-ethoxybenzyl)-N-methyl-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)C(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)C(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C23H28N4O3S/c1-4-29-19-10-6-17(7-11-19)16-26(3)21(28)14-15-27-22(24-25-23(27)31)18-8-12-20(13-9-18)30-5-2/h6-13H,4-5,14-16H2,1-3H3,(H,25,31)