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

Systemtic Name: 2-[[4-azanyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C15H18ClN5OS MolecularWeight: 351.85432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H18ClN5OS/c16-12-6-4-11(5-7-12)14-18-19-15(21(14)17)23-10-13(22)20-8-2-1-3-9-20/h4-7H,1-3,8-10,17H2