2-chloranyl-7,8-dimethyl-3-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline

Systemtic Name: 2-chloranyl-7,8-dimethyl-3-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 2-chloro-7,8-dimethyl-3-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 2-chloro-7,8-dimethyl-3-[[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 2-chloro-7,8-dimethyl-3-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 2-chloro-7,8-dimethyl-3-[[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C22H21ClN4S MolecularWeight: 408.94694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(N3C)C4=CC=CC=C4C)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(N3C)C4=CC=CC=C4C)Cl)C

InChI

InChI=1S/C22H21ClN4S/c1-13-9-10-16-11-17(20(23)24-19(16)15(13)3)12-28-22-26-25-21(27(22)4)18-8-6-5-7-14(18)2/h5-11H,12H2,1-4H3