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

Systemtic Name: 2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanol Openeye Name: 2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanol CAS Name: 2-[[4-(3-chlorophenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanol IUPAC Name: 2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanol Traditional Name: 2-[[4-(3-chlorophenyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanol Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3=CC(=CC=C3)Cl)SCC(C4=CC=CC=C4)O

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3=CC(=CC=C3)Cl)SCC(C4=CC=CC=C4)O

InChI

InChI=1S/C20H21ClN4OS/c21-16-9-6-10-17(13-16)25-19(24-11-4-5-12-24)22-23-20(25)27-14-18(26)15-7-2-1-3-8-15/h1-3,6-10,13,18,26H,4-5,11-12,14H2