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

Systemtic Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-methylphenyl)-phenyl-methyl]ethanamide Openeye Name: 2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[phenyl(p-tolyl)methyl]acetamide CAS Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-methylphenyl)-phenylmethyl]acetamide IUPAC Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-methylphenyl)-phenylmethyl]acetamide Traditional Name: 2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[phenyl(p-tolyl)methyl]acetamide Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CN3C(=NNC3=S)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CN3C(=NNC3=S)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H24N4O2S/c1-17-8-10-19(11-9-17)23(18-6-4-3-5-7-18)26-22(30)16-29-24(27-28-25(29)32)20-12-14-21(31-2)15-13-20/h3-15,23H,16H2,1-2H3,(H,26,30)(H,28,32)