2-[[4-azanyl-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-methyl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-methyl-ethanamide Openeye Name: 2-[[4-amino-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-methyl-acetamide CAS Name: 2-[[4-amino-5-[2-(4-methylphenyl)-4-quinolinyl]-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-N-methylacetamide IUPAC Name: 2-[[4-amino-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-methylacetamide Traditional Name: 2-[[4-amino-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-N-methyl-acetamide Formula: C27H30N6OS MolecularWeight: 486.6317

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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)SCC(=O)N(C)C5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4N)SCC(=O)N(C)C5CCCCC5

InChI

InChI=1S/C27H30N6OS/c1-18-12-14-19(15-13-18)24-16-22(21-10-6-7-11-23(21)29-24)26-30-31-27(33(26)28)35-17-25(34)32(2)20-8-4-3-5-9-20/h6-7,10-16,20H,3-5,8-9,17,28H2,1-2H3