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

Systemtic Name: 6-chloranyl-2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Openeye Name: 6-chloro-2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one CAS Name: 6-chloro-2-[[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-1H-quinolin-4-one IUPAC Name: 6-chloro-2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Traditional Name: 6-chloro-2-[[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-4-quinolone Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NN=C(N2C)SCC3=CC(=O)C4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NN=C(N2C)SCC3=CC(=O)C4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C21H19ClN4O2S/c1-13-4-3-5-16(8-13)28-11-20-24-25-21(26(20)2)29-12-15-10-19(27)17-9-14(22)6-7-18(17)23-15/h3-10H,11-12H2,1-2H3,(H,23,27)