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

Systemtic Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one Openeye Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]cycloheptanone CAS Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-cycloheptanone IUPAC Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one Traditional Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]cycloheptanone Formula: C15H16ClN3OS MolecularWeight: 321.82504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)CC1)SC2=NNC(=N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(C(=O)CC1)SC2=NNC(=N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H16ClN3OS/c16-11-8-6-10(7-9-11)14-17-15(19-18-14)21-13-5-3-1-2-4-12(13)20/h6-9,13H,1-5H2,(H,17,18,19)