2-[[5-(2,4-dichlorophenyl)-4-(2,6-diethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]ethanamide

Systemtic Name: 2-[[5-(2,4-dichlorophenyl)-4-(2,6-diethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]ethanamide Openeye Name: 2-[[5-(2,4-dichlorophenyl)-4-(2,6-diethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide CAS Name: 2-[[5-(2,4-dichlorophenyl)-4-(2,6-diethylphenyl)-1,2,4-triazol-3-yl]thio]-N-[2-(4-methoxyphenyl)ethyl]acetamide IUPAC Name: 2-[[5-(2,4-dichlorophenyl)-4-(2,6-diethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide Traditional Name: 2-[[5-(2,4-dichlorophenyl)-4-(2,6-diethylphenyl)-1,2,4-triazol-3-yl]thio]-N-[2-(4-methoxyphenyl)ethyl]acetamide Formula: C29H30Cl2N4O2S MolecularWeight: 569.5451

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC(=O)NCCC3=CC=C(C=C3)OC)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC(=O)NCCC3=CC=C(C=C3)OC)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C29H30Cl2N4O2S/c1-4-20-7-6-8-21(5-2)27(20)35-28(24-14-11-22(30)17-25(24)31)33-34-29(35)38-18-26(36)32-16-15-19-9-12-23(37-3)13-10-19/h6-14,17H,4-5,15-16,18H2,1-3H3,(H,32,36)