N-[1-[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide

Systemtic Name: N-[1-[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide Openeye Name: N-[1-[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide CAS Name: N-[1-[4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide IUPAC Name: N-[1-[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide Traditional Name: N-[1-[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide Formula: C27H22F6N4OS MolecularWeight: 564.545199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)C(C)NC(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)C(C)NC(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C27H22F6N4OS/c1-16-8-10-22(11-9-16)37-23(35-36-25(37)39-15-18-6-4-3-5-7-18)17(2)34-24(38)19-12-20(26(28,29)30)14-21(13-19)27(31,32)33/h3-14,17H,15H2,1-2H3,(H,34,38)