N-cyclopropyl-2-[[4-(4-ethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanamide

Systemtic Name: N-cyclopropyl-2-[[4-(4-ethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanamide Openeye Name: 2-[[5-benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-phenyl-acetamide CAS Name: N-cyclopropyl-2-[[4-(4-ethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-2-phenylacetamide IUPAC Name: 2-[[5-benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-phenylacetamide Traditional Name: 2-[(5-benzyl-4-p-phenetyl-1,2,4-triazol-3-yl)thio]-N-cyclopropyl-2-phenyl-acetamide Formula: C28H28N4O2S MolecularWeight: 484.61252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C3=CC=CC=C3)C(=O)NC4CC4)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C3=CC=CC=C3)C(=O)NC4CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2S/c1-2-34-24-17-15-23(16-18-24)32-25(19-20-9-5-3-6-10-20)30-31-28(32)35-26(21-11-7-4-8-12-21)27(33)29-22-13-14-22/h3-12,15-18,22,26H,2,13-14,19H2,1H3,(H,29,33)