N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]butanamide

Systemtic Name: N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]butanamide Openeye Name: N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]butanamide CAS Name: N-[1-[5-[(4-fluorophenyl)methylthio]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]butanamide IUPAC Name: N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]butanamide Traditional Name: N-[1-[5-[(4-fluorobenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]butyramide Formula: C28H29FN4OS MolecularWeight: 488.619463

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(CC1=CC=CC=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC=C(C=C4)F

Isomeric SMILES

CCCC(=O)NC(CC1=CC=CC=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C28H29FN4OS/c1-3-7-26(34)30-25(18-21-8-5-4-6-9-21)27-31-32-28(33(27)24-16-10-20(2)11-17-24)35-19-22-12-14-23(29)15-13-22/h4-6,8-17,25H,3,7,18-19H2,1-2H3,(H,30,34)