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

Systemtic Name: 4-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 4-[[4-(3,4-dichlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 4-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 4-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 4-[[4-(3,4-dichlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C17H14Cl2N4OS MolecularWeight: 393.29026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NN=C(N1C2=CC(=C(C=C2)Cl)Cl)C3=CC=NC=C3

Isomeric SMILES

CC(=O)CCSC1=NN=C(N1C2=CC(=C(C=C2)Cl)Cl)C3=CC=NC=C3

InChI

InChI=1S/C17H14Cl2N4OS/c1-11(24)6-9-25-17-22-21-16(12-4-7-20-8-5-12)23(17)13-2-3-14(18)15(19)10-13/h2-5,7-8,10H,6,9H2,1H3