2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-quinolin-4-one

Systemtic Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-quinolin-4-one Openeye Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-quinolin-4-one CAS Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-1H-quinolin-4-one IUPAC Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-quinolin-4-one Traditional Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-4-quinolone Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC2=CC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=CC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C16H18N4OS/c1-11-14(19-10-18-11)9-22-7-6-17-16-8-15(21)12-4-2-3-5-13(12)20-16/h2-5,8,10H,6-7,9H2,1H3,(H,18,19)(H2,17,20,21)