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

Systemtic Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-methyl-1-phenyl-butyl)ethanamide Openeye Name: 2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(3-methyl-1-phenyl-butyl)acetamide CAS Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-methyl-1-phenylbutyl)acetamide IUPAC Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-methyl-1-phenylbutyl)acetamide Traditional Name: 2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(3-methyl-1-phenyl-butyl)acetamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N4O2S/c1-15(2)13-19(16-7-5-4-6-8-16)23-20(27)14-26-21(24-25-22(26)29)17-9-11-18(28-3)12-10-17/h4-12,15,19H,13-14H2,1-3H3,(H,23,27)(H,25,29)