7,8-dimethyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one

Systemtic Name: 7,8-dimethyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one Openeye Name: 7,8-dimethyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one CAS Name: 7,8-dimethyl-2-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinolin-4-one IUPAC Name: 7,8-dimethyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one Traditional Name: 7,8-dimethyl-2-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-quinolone Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC2=CC(=O)C3=C(N2)C(=C(C=C3)C)C

Isomeric SMILES

CCCC1=NC(=NN1)SCC2=CC(=O)C3=C(N2)C(=C(C=C3)C)C

InChI

InChI=1S/C17H20N4OS/c1-4-5-15-19-17(21-20-15)23-9-12-8-14(22)13-7-6-10(2)11(3)16(13)18-12/h6-8H,4-5,9H2,1-3H3,(H,18,22)(H,19,20,21)