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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=CC2=O)CSC3=NN=C(N3C)COC4=CC=CC=C4Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=CC2=O)CSC3=NN=C(N3C)COC4=CC=CC=C4Cl

InChI

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