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

Systemtic Name: N-methyl-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-phenoxypropyl)ethanamide Openeye Name: N-methyl-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(3-phenoxypropyl)acetamide CAS Name: N-methyl-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-phenoxypropyl)acetamide IUPAC Name: N-methyl-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-phenoxypropyl)acetamide Traditional Name: N-methyl-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(3-phenoxypropyl)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)N(C)CCCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N(C)CCCOC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-16-8-6-9-17(14-16)20-22-23-21(28)25(20)15-19(26)24(2)12-7-13-27-18-10-4-3-5-11-18/h3-6,8-11,14H,7,12-13,15H2,1-2H3,(H,23,28)