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

Systemtic Name: 2-[[5-[(4-chloranyl-3-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-1H-quinolin-4-one Openeye Name: 2-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-1H-quinolin-4-one CAS Name: 2-[[[5-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-6-methyl-1H-quinolin-4-one IUPAC Name: 2-[[5-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-1H-quinolin-4-one Traditional Name: 2-[[[5-[(4-chloro-3-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-6-methyl-4-quinolone Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=CC2=O)CSC3=NN=C(N3C)COC4=CC(=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=CC2=O)CSC3=NN=C(N3C)COC4=CC(=C(C=C4)Cl)C

InChI

InChI=1S/C22H21ClN4O2S/c1-13-4-7-19-17(8-13)20(28)10-15(24-19)12-30-22-26-25-21(27(22)3)11-29-16-5-6-18(23)14(2)9-16/h4-10H,11-12H2,1-3H3,(H,24,28)