6-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one

Systemtic Name: 6-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one Openeye Name: 6-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one CAS Name: 6-methyl-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinolin-4-one IUPAC Name: 6-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one Traditional Name: 6-methyl-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-quinolone Formula: C19H16N4OS MolecularWeight: 348.42154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=CC2=O)CSC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=CC2=O)CSC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C19H16N4OS/c1-12-7-8-16-15(9-12)17(24)10-14(20-16)11-25-19-21-18(22-23-19)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,24)(H,21,22,23)