2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylbutyl)ethanamide

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylbutyl)ethanamide Openeye Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylbutyl)acetamide CAS Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(1-phenylbutyl)acetamide IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylbutyl)acetamide Traditional Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(1-phenylbutyl)acetamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H28N4O2S/c1-3-10-24(20-11-6-4-7-12-20)28-25(32)19-34-27-30-29-26(21-15-17-23(33-2)18-16-21)31(27)22-13-8-5-9-14-22/h4-9,11-18,24H,3,10,19H2,1-2H3,(H,28,32)