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

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide Openeye Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-N-[[4-(methylthio)phenyl]methyl]propanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide Traditional Name: N-methyl-N-[4-(methylthio)benzyl]-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N(C)CC3=CC=C(C=C3)SC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N(C)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C22H26N4O2S2/c1-4-28-18-9-7-17(8-10-18)21-23-24-22(29)26(21)14-13-20(27)25(2)15-16-5-11-19(30-3)12-6-16/h5-12H,4,13-15H2,1-3H3,(H,24,29)