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

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)ethanamide Openeye Name: N-(4-benzyloxyphenyl)-2-[[4-(4-ethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(4-ethoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(4-phenylmethoxyphenyl)acetamide IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide Traditional Name: N-(4-benzoxyphenyl)-2-[[4-p-phenetyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C30H27N5O3S MolecularWeight: 537.63208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C30H27N5O3S/c1-2-37-26-16-12-25(13-17-26)35-29(23-9-6-18-31-19-23)33-34-30(35)39-21-28(36)32-24-10-14-27(15-11-24)38-20-22-7-4-3-5-8-22/h3-19H,2,20-21H2,1H3,(H,32,36)