4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2-phenyl-quinoline

Systemtic Name: 4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2-phenyl-quinoline Openeye Name: 4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2-phenyl-quinoline CAS Name: 4-[5-[(3,4-dichlorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]-2-phenylquinoline IUPAC Name: 4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2-phenylquinoline Traditional Name: 4-[5-[(3,4-dichlorobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]-2-phenyl-quinoline Formula: C25H18Cl2N4S MolecularWeight: 477.40822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C25H18Cl2N4S/c1-31-24(29-30-25(31)32-15-16-11-12-20(26)21(27)13-16)19-14-23(17-7-3-2-4-8-17)28-22-10-6-5-9-18(19)22/h2-14H,15H2,1H3