4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: 4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 4-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyridylmethyl)butanamide CAS Name: 4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-pyridinylmethyl)butanamide IUPAC Name: 4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 4-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-(2-pyridylmethyl)butyramide Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)NCC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C25H25N5OS/c1-19-12-14-20(15-13-19)24-28-29-25(30(24)22-9-3-2-4-10-22)32-17-7-11-23(31)27-18-21-8-5-6-16-26-21/h2-6,8-10,12-16H,7,11,17-18H2,1H3,(H,27,31)