2-chloranyl-3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylsulfanyl-quinoline

Systemtic Name: 2-chloranyl-3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylsulfanyl-quinoline Openeye Name: 2-chloro-7-methylsulfanyl-3-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 2-chloro-3-[[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-7-(methylthio)quinoline IUPAC Name: 2-chloro-3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylsulfanylquinoline Traditional Name: 2-chloro-7-(methylthio)-3-[[[5-(p-tolyl)-1H-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=C(C=C1)C2=NC(=NN2)SCC3=C(N=C4C=C(C=CC4=C3)SC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(N=C4C=C(C=CC4=C3)SC)Cl

InChI

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