2-[[4-(4-chlorophenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-(4-chlorophenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-(4-chlorophenyl)-5-phenethyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-(4-chlorophenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-(4-chlorophenyl)-5-phenethyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C22H23ClN4OS MolecularWeight: 426.96222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CCC4=CC=CC=C4

InChI

InChI=1S/C22H23ClN4OS/c23-18-9-11-19(12-10-18)27-20(13-8-17-6-2-1-3-7-17)24-25-22(27)29-16-21(28)26-14-4-5-15-26/h1-3,6-7,9-12H,4-5,8,13-16H2