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

Systemtic Name: 8-chloranyl-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Openeye Name: 8-chloro-2-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one CAS Name: 8-chloro-2-[[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinolin-4-one IUPAC Name: 8-chloro-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Traditional Name: 8-chloro-2-[[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-4-quinolone Formula: C20H17ClN4OS MolecularWeight: 396.89318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=CC(=O)C4=C(N3)C(=CC=C4)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=CC(=O)C4=C(N3)C(=CC=C4)Cl

InChI

InChI=1S/C20H17ClN4OS/c1-12-5-3-6-13(9-12)19-23-24-20(25(19)2)27-11-14-10-17(26)15-7-4-8-16(21)18(15)22-14/h3-10H,11H2,1-2H3,(H,22,26)