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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C(=C3)C)Cl)OC)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C(=C3)C)Cl)OC)C4=CC=C(C=C4)C(C)(C)C

InChI

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