5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-pentan-1-one

Systemtic Name: 5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-pentan-1-one Openeye Name: 5-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-pentan-1-one CAS Name: 5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)-1-pentanone IUPAC Name: 5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylpentan-1-one Traditional Name: 5-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-pentan-1-one Formula: C24H28N4OS MolecularWeight: 420.57032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4OS/c1-19-12-14-21(15-13-19)28-23(20-9-3-2-4-10-20)25-26-24(28)30-18-8-5-11-22(29)27-16-6-7-17-27/h2-4,9-10,12-15H,5-8,11,16-18H2,1H3