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

Systemtic Name: 4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)butanamide Openeye Name: 4-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)butanamide CAS Name: 4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-[2-(1-pyrrolidinyl)ethyl]butanamide IUPAC Name: 4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)butanamide Traditional Name: 4-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-(2-pyrrolidinoethyl)butyramide Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)NCCN4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)NCCN4CCCC4

InChI

InChI=1S/C25H31N5OS/c1-20-11-13-21(14-12-20)24-27-28-25(30(24)22-8-3-2-4-9-22)32-19-7-10-23(31)26-15-18-29-16-5-6-17-29/h2-4,8-9,11-14H,5-7,10,15-19H2,1H3,(H,26,31)