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

Systemtic Name: 2-[[4-(3-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-(3-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-(3-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-(3-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-(3-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C20H19ClN4OS MolecularWeight: 398.90906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4OS/c21-16-9-6-10-17(13-16)25-19(15-7-2-1-3-8-15)22-23-20(25)27-14-18(26)24-11-4-5-12-24/h1-3,6-10,13H,4-5,11-12,14H2