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

Systemtic Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-phenylmethoxypropyl)propanamide Openeye Name: N-(3-benzyloxypropyl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-phenylmethoxypropyl)propanamide IUPAC Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-phenylmethoxypropyl)propanamide Traditional Name: N-(3-benzoxypropyl)-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)NCCCOCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCCCOCC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2S/c1-17-8-10-19(11-9-17)21-24-25-22(29)26(21)14-12-20(27)23-13-5-15-28-16-18-6-3-2-4-7-18/h2-4,6-11H,5,12-16H2,1H3,(H,23,27)(H,25,29)