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

Systemtic Name: 4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyridylmethyl)butanamide CAS Name: 4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-(3-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=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)NCC4=CN=CC=C4

InChI

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