N-[[4-(2,4-dichlorophenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethyl-hexanamide

Systemtic Name: N-[[4-(2,4-dichlorophenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethyl-hexanamide Openeye Name: N-[[4-(2,4-dichlorophenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethyl-hexanamide CAS Name: N-[[4-(2,4-dichlorophenyl)-5-[(3-methoxyphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethylhexanamide IUPAC Name: N-[[4-(2,4-dichlorophenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethylhexanamide Traditional Name: N-[[4-(2,4-dichlorophenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethyl-hexanamide Formula: C26H32Cl2N4O2S MolecularWeight: 535.52888

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NCC1=NN=C(N1C2=C(C=C(C=C2)Cl)Cl)SCC3=CC(=CC=C3)OC)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)NCC1=NN=C(N1C2=C(C=C(C=C2)Cl)Cl)SCC3=CC(=CC=C3)OC)CC(C)(C)C

InChI

InChI=1S/C26H32Cl2N4O2S/c1-17(14-26(2,3)4)11-24(33)29-15-23-30-31-25(32(23)22-10-9-19(27)13-21(22)28)35-16-18-7-6-8-20(12-18)34-5/h6-10,12-13,17H,11,14-16H2,1-5H3,(H,29,33)