N-cyclopropyl-2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanamide

Systemtic Name: N-cyclopropyl-2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanamide Openeye Name: N-cyclopropyl-2-[[4-(2,6-diethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetamide CAS Name: N-cyclopropyl-2-[[4-(2,6-diethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-2-phenylacetamide IUPAC Name: N-cyclopropyl-2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide Traditional Name: N-cyclopropyl-2-[[4-(2,6-diethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-acetamide Formula: C28H29N5OS MolecularWeight: 483.62776

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SC(C3=CC=CC=C3)C(=O)NC4CC4)C5=CN=CC=C5

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SC(C3=CC=CC=C3)C(=O)NC4CC4)C5=CN=CC=C5

InChI

InChI=1S/C28H29N5OS/c1-3-19-12-8-13-20(4-2)24(19)33-26(22-14-9-17-29-18-22)31-32-28(33)35-25(21-10-6-5-7-11-21)27(34)30-23-15-16-23/h5-14,17-18,23,25H,3-4,15-16H2,1-2H3,(H,30,34)