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

Systemtic Name: 2-[[5-[(4-chloranylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinolin-4-one Openeye Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinolin-4-one CAS Name: 2-[[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1H-quinolin-4-one IUPAC Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinolin-4-one Traditional Name: 2-[[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-4-quinolone Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=CC2=O)CSC3=NN=C(N3C)COC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC2=C1NC(=CC2=O)CSC3=NN=C(N3C)COC4=CC=C(C=C4)Cl

InChI

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