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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanophenyl)ethanamide Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanophenyl)acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-cyanophenyl)acetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanophenyl)acetamide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-cyanophenyl)acetamide Formula: C28H27N5O2S MolecularWeight: 497.61128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C28H27N5O2S/c1-28(2,3)21-10-8-20(9-11-21)26-31-32-27(33(26)23-12-14-24(35-4)15-13-23)36-18-25(34)30-22-7-5-6-19(16-22)17-29/h5-16H,18H2,1-4H3,(H,30,34)