3-[2-(4-methylphenyl)quinolin-4-yl]-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[2-(4-methylphenyl)quinolin-4-yl]-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-[2-(p-tolyl)-4-quinolyl]-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine CAS Name: 3-[2-(4-methylphenyl)-4-quinolinyl]-5-(2-oxanylmethylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-[2-(4-methylphenyl)quinolin-4-yl]-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine Traditional Name: [3-[2-(p-tolyl)-4-quinolyl]-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazol-4-yl]amine Formula: C24H25N5OS MolecularWeight: 431.5532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4N)SCC5CCCCO5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4N)SCC5CCCCO5

InChI

InChI=1S/C24H25N5OS/c1-16-9-11-17(12-10-16)22-14-20(19-7-2-3-8-21(19)26-22)23-27-28-24(29(23)25)31-15-18-6-4-5-13-30-18/h2-3,7-12,14,18H,4-6,13,15,25H2,1H3