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

Systemtic Name: 2-[[4-(3-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-(3-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-(3-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-(3-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-(3-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H21ClN4OS/c22-17-10-7-11-18(14-17)26-20(16-8-3-1-4-9-16)23-24-21(26)28-15-19(27)25-12-5-2-6-13-25/h1,3-4,7-11,14H,2,5-6,12-13,15H2