2-[[5-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloranyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloranyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-2-methyl-phenyl)acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-chloro-2-methylphenyl)acetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-2-methylphenyl)acetamide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]-N-(4-chloro-2-methyl-phenyl)acetamide Formula: C29H31ClN4O2S MolecularWeight: 535.10004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)Cl)C)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)Cl)C)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C29H31ClN4O2S/c1-6-36-24-14-12-23(13-15-24)34-27(20-7-9-21(10-8-20)29(3,4)5)32-33-28(34)37-18-26(35)31-25-16-11-22(30)17-19(25)2/h7-17H,6,18H2,1-5H3,(H,31,35)