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

Systemtic Name: N-methyl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-phenoxypropyl)propanamide Openeye Name: N-methyl-N-(3-phenoxypropyl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-methyl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-phenoxypropyl)propanamide IUPAC Name: N-methyl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-phenoxypropyl)propanamide Traditional Name: N-methyl-N-(3-phenoxypropyl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N(C)CCCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N(C)CCCOC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2S/c1-17-9-11-18(12-10-17)21-23-24-22(29)26(21)15-13-20(27)25(2)14-6-16-28-19-7-4-3-5-8-19/h3-5,7-12H,6,13-16H2,1-2H3,(H,24,29)