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

Systemtic Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-phenylbutan-2-yl)ethanamide Openeye Name: 2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(1-methyl-3-phenyl-propyl)acetamide CAS Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-phenylbutan-2-yl)acetamide IUPAC Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-phenylbutan-2-yl)acetamide Traditional Name: 2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(1-methyl-3-phenyl-propyl)acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)OC

InChI

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