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

Systemtic Name: N-(2-tert-butylphenyl)-2-[[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-tert-butylphenyl)-2-[[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-tert-butylphenyl)-2-[[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-tert-butylphenyl)-2-[[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-tert-butylphenyl)-2-[[5-(2-chlorophenyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C28H29ClN4O2S MolecularWeight: 521.07346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C(C)(C)C)C4=CC=CC=C4Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C(C)(C)C)C4=CC=CC=C4Cl

InChI

InChI=1S/C28H29ClN4O2S/c1-5-35-20-16-14-19(15-17-20)33-26(21-10-6-8-12-23(21)29)31-32-27(33)36-18-25(34)30-24-13-9-7-11-22(24)28(2,3)4/h6-17H,5,18H2,1-4H3,(H,30,34)