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

Systemtic Name: 3-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: 3-[[4-(3,4-dichlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: 3-[[4-(3,4-dichlorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: 3-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[4-(3,4-dichlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C19H17Cl2N5OS MolecularWeight: 434.34218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)C4=CN=CC=C4

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)C4=CN=CC=C4

InChI

InChI=1S/C19H17Cl2N5OS/c20-14-7-6-13(10-15(14)21)26-17(12-4-3-8-22-11-12)24-25-19(26)28-16-5-1-2-9-23-18(16)27/h3-4,6-8,10-11,16H,1-2,5,9H2,(H,23,27)