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

Systemtic Name: 2-chloranyl-7-methyl-3-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 2-chloro-7-methyl-3-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 2-chloro-7-methyl-3-[[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 2-chloro-7-methyl-3-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 2-chloro-7-methyl-3-[[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C21H19ClN4S MolecularWeight: 394.92036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)CSC3=NN=C(N3C4=CC=CC=C4C)C)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)CSC3=NN=C(N3C4=CC=CC=C4C)C)Cl

InChI

InChI=1S/C21H19ClN4S/c1-13-8-9-16-11-17(20(22)23-18(16)10-13)12-27-21-25-24-15(3)26(21)19-7-5-4-6-14(19)2/h4-11H,12H2,1-3H3