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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)-2-phenyl-ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)-2-phenyl-acetamide CAS Name: 2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(3,5-dimethylphenyl)-2-phenylacetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)-2-phenylacetamide Traditional Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(3,5-dimethylphenyl)-2-phenyl-acetamide Formula: C26H25N5OS MolecularWeight: 455.5746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3C4CC4)C5=CN=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3C4CC4)C5=CN=CC=C5)C

InChI

InChI=1S/C26H25N5OS/c1-17-13-18(2)15-21(14-17)28-25(32)23(19-7-4-3-5-8-19)33-26-30-29-24(31(26)22-10-11-22)20-9-6-12-27-16-20/h3-9,12-16,22-23H,10-11H2,1-2H3,(H,28,32)