2-chloranyl-3-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylsulfanyl-quinoline

Systemtic Name: 2-chloranyl-3-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylsulfanyl-quinoline Openeye Name: 2-chloro-7-methylsulfanyl-3-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 2-chloro-3-[[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-(methylthio)quinoline IUPAC Name: 2-chloro-3-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylsulfanylquinoline Traditional Name: 2-chloro-7-(methylthio)-3-[[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C20H17ClN4S2 MolecularWeight: 412.95878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SCC3=C(N=C4C=C(C=CC4=C3)SC)Cl

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCC3=C(N=C4C=C(C=CC4=C3)SC)Cl

InChI

InChI=1S/C20H17ClN4S2/c1-13-5-3-4-6-18(13)25-12-22-24-20(25)27-11-15-9-14-7-8-16(26-2)10-17(14)23-19(15)21/h3-10,12H,11H2,1-2H3