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

Systemtic Name: 2-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one Openeye Name: 2-[[4-(3,4-dichlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]cycloheptanone CAS Name: 2-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-cycloheptanone IUPAC Name: 2-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one Traditional Name: 2-[[4-(3,4-dichlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]cycloheptanone Formula: C20H18Cl2N4OS MolecularWeight: 433.35412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)CC1)SC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)C4=CC=NC=C4

Isomeric SMILES

C1CCC(C(=O)CC1)SC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)C4=CC=NC=C4

InChI

InChI=1S/C20H18Cl2N4OS/c21-15-7-6-14(12-16(15)22)26-19(13-8-10-23-11-9-13)24-25-20(26)28-18-5-3-1-2-4-17(18)27/h6-12,18H,1-5H2