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

Systemtic Name: 4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyridin-2-ylethyl)butanamide Openeye Name: 4-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-pyridyl)ethyl]butanamide CAS Name: 4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-[2-(2-pyridinyl)ethyl]butanamide IUPAC Name: 4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyridin-2-ylethyl)butanamide Traditional Name: 4-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-[2-(2-pyridyl)ethyl]butyramide Formula: C26H27N5OS MolecularWeight: 457.59048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)NCCC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)NCCC4=CC=CC=N4

InChI

InChI=1S/C26H27N5OS/c1-20-12-14-21(15-13-20)25-29-30-26(31(25)23-9-3-2-4-10-23)33-19-7-11-24(32)28-18-16-22-8-5-6-17-27-22/h2-6,8-10,12-15,17H,7,11,16,18-19H2,1H3,(H,28,32)