2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one Openeye Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]cycloheptanone CAS Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-cycloheptanone IUPAC Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one Traditional Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]cycloheptanone Formula: C17H20ClN3OS MolecularWeight: 349.8782

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2CCCCCC2=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C(=NN=C1SC2CCCCCC2=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN3OS/c1-2-21-16(12-8-10-13(18)11-9-12)19-20-17(21)23-15-7-5-3-4-6-14(15)22/h8-11,15H,2-7H2,1H3