8-chloranyl-2-[[5-(2-methylpropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one

Systemtic Name: 8-chloranyl-2-[[5-(2-methylpropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Openeye Name: 8-chloro-2-[(5-isobutyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one CAS Name: 8-chloro-2-[[[5-(2-methylpropyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinolin-4-one IUPAC Name: 8-chloro-2-[[5-(2-methylpropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Traditional Name: 8-chloro-2-[[(5-isobutyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-4-quinolone Formula: C22H21ClN4OS MolecularWeight: 424.94634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC(=O)C4=C(N3)C(=CC=C4)Cl

Isomeric SMILES

CC(C)CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC(=O)C4=C(N3)C(=CC=C4)Cl

InChI

InChI=1S/C22H21ClN4OS/c1-14(2)11-20-25-26-22(27(20)16-7-4-3-5-8-16)29-13-15-12-19(28)17-9-6-10-18(23)21(17)24-15/h3-10,12,14H,11,13H2,1-2H3,(H,24,28)