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

Systemtic Name: 2-[[4-azanyl-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-ethanamide Openeye Name: 2-[[4-amino-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: 2-[[4-amino-5-[2-(4-methylphenyl)-4-quinolinyl]-1,2,4-triazol-3-yl]thio]-N-tert-butylacetamide IUPAC Name: 2-[[4-amino-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylacetamide Traditional Name: 2-[[4-amino-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]thio]-N-tert-butyl-acetamide Formula: C24H26N6OS MolecularWeight: 446.56784

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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)NC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H26N6OS/c1-15-9-11-16(12-10-15)20-13-18(17-7-5-6-8-19(17)26-20)22-28-29-23(30(22)25)32-14-21(31)27-24(2,3)4/h5-13H,14,25H2,1-4H3,(H,27,31)