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

Systemtic Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-phenylmethoxypropyl)ethanamide Openeye Name: N-(3-benzyloxypropyl)-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-phenylmethoxypropyl)acetamide IUPAC Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-phenylmethoxypropyl)acetamide Traditional Name: N-(3-benzoxypropyl)-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NCCCOCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NCCCOCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-16-7-5-10-18(13-16)20-23-24-21(28)25(20)14-19(26)22-11-6-12-27-15-17-8-3-2-4-9-17/h2-5,7-10,13H,6,11-12,14-15H2,1H3,(H,22,26)(H,24,28)