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

Systemtic Name: 5-[[4-(3,4-dichlorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-pentan-1-one Openeye Name: 5-[[5-benzyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-pentan-1-one CAS Name: 5-[[4-(3,4-dichlorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)-1-pentanone IUPAC Name: 5-[[5-benzyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylpentan-1-one Traditional Name: 5-[[5-benzyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-pentan-1-one Formula: C24H26Cl2N4OS MolecularWeight: 489.46044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCCCSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CCCCSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C24H26Cl2N4OS/c25-20-12-11-19(17-21(20)26)30-22(16-18-8-2-1-3-9-18)27-28-24(30)32-15-7-4-10-23(31)29-13-5-6-14-29/h1-3,8-9,11-12,17H,4-7,10,13-16H2