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

Systemtic Name: 2-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one Openeye Name: 2-[[4-(3,4-dichlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one CAS Name: 2-[[4-(3,4-dichlorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-1-propanone IUPAC Name: 2-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpropan-1-one Traditional Name: 2-[[4-(3,4-dichlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-propan-1-one Formula: C22H16Cl2N4OS MolecularWeight: 455.35964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16Cl2N4OS/c1-14(20(29)15-6-3-2-4-7-15)30-22-27-26-21(16-8-5-11-25-13-16)28(22)17-9-10-18(23)19(24)12-17/h2-14H,1H3