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

Systemtic Name: 4-[4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-quinoline Openeye Name: 4-[4-methyl-5-(o-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]-2-phenyl-quinoline CAS Name: 4-[4-methyl-5-[(2-methylphenyl)methylthio]-1,2,4-triazol-3-yl]-2-phenylquinoline IUPAC Name: 4-[4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenylquinoline Traditional Name: 4-[4-methyl-5-[(2-methylbenzyl)thio]-1,2,4-triazol-3-yl]-2-phenyl-quinoline Formula: C26H22N4S MolecularWeight: 422.54468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2C)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2C)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H22N4S/c1-18-10-6-7-13-20(18)17-31-26-29-28-25(30(26)2)22-16-24(19-11-4-3-5-12-19)27-23-15-9-8-14-21(22)23/h3-16H,17H2,1-2H3