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

Systemtic Name: N-(4-butylsulfanylphenyl)-2-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylsulfanylphenyl)acetamide CAS Name: N-[4-(butylthio)phenyl]-2-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylsulfanylphenyl)acetamide Traditional Name: 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-[4-(butylthio)phenyl]acetamide Formula: C27H28N4OS2 MolecularWeight: 488.66742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCSC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4OS2/c1-2-3-18-33-24-16-14-23(15-17-24)28-25(32)20-34-27-30-29-26(22-12-8-5-9-13-22)31(27)19-21-10-6-4-7-11-21/h4-17H,2-3,18-20H2,1H3,(H,28,32)