N-(2-butan-2-ylphenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-butan-2-ylphenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-sec-butylphenyl)acetamide CAS Name: N-(2-butan-2-ylphenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-butan-2-ylphenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-p-phenetyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-sec-butylphenyl)acetamide Formula: C27H29N5O2S MolecularWeight: 487.61646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OCC)C4=CC=NC=C4

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OCC)C4=CC=NC=C4

InChI

InChI=1S/C27H29N5O2S/c1-4-19(3)23-8-6-7-9-24(23)29-25(33)18-35-27-31-30-26(20-14-16-28-17-15-20)32(27)21-10-12-22(13-11-21)34-5-2/h6-17,19H,4-5,18H2,1-3H3,(H,29,33)