[3-(4-chlorophenyl)-5-(cyclopropylmethylsulfanyl)-1,2,4-triazol-1-yl]-piperidin-1-yl-methanone

Systemtic Name: [3-(4-chlorophenyl)-5-(cyclopropylmethylsulfanyl)-1,2,4-triazol-1-yl]-piperidin-1-yl-methanone Openeye Name: [3-(4-chlorophenyl)-5-(cyclopropylmethylsulfanyl)-1,2,4-triazol-1-yl]-(1-piperidyl)methanone CAS Name: [3-(4-chlorophenyl)-5-(cyclopropylmethylthio)-1,2,4-triazol-1-yl]-(1-piperidinyl)methanone IUPAC Name: [3-(4-chlorophenyl)-5-(cyclopropylmethylsulfanyl)-1,2,4-triazol-1-yl]-piperidin-1-ylmethanone Traditional Name: [3-(4-chlorophenyl)-5-(cyclopropylmethylthio)-1,2,4-triazol-1-yl]-piperidino-methanone Formula: C18H21ClN4OS MolecularWeight: 376.90354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)N2C(=NC(=N2)C3=CC=C(C=C3)Cl)SCC4CC4

Isomeric SMILES

C1CCN(CC1)C(=O)N2C(=NC(=N2)C3=CC=C(C=C3)Cl)SCC4CC4

InChI

InChI=1S/C18H21ClN4OS/c19-15-8-6-14(7-9-15)16-20-17(25-12-13-4-5-13)23(21-16)18(24)22-10-2-1-3-11-22/h6-9,13H,1-5,10-12H2