2-[(3-chlorophenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)butanamide

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)butanamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)butanamide CAS Name: 2-[(3-chlorophenyl)methylthio]-N-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)butanamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)butanamide Traditional Name: 2-[(3-chlorobenzyl)thio]-N-(4-fluorobenzyl)-4-(3-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)butyramide Formula: C27H26ClFN4O2S MolecularWeight: 525.037343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCC(C(=O)N(CC2=CC=C(C=C2)F)C3=NC=NN3)SCC4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)CCC(C(=O)N(CC2=CC=C(C=C2)F)C3=NC=NN3)SCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H26ClFN4O2S/c1-35-24-7-3-4-19(15-24)10-13-25(36-17-21-5-2-6-22(28)14-21)26(34)33(27-30-18-31-32-27)16-20-8-11-23(29)12-9-20/h2-9,11-12,14-15,18,25H,10,13,16-17H2,1H3,(H,30,31,32)