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

Systemtic Name: 2-chloranyl-7-methyl-3-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 2-chloro-7-methyl-3-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 2-chloro-7-methyl-3-[[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 2-chloro-7-methyl-3-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 2-chloro-7-methyl-3-[[[4-methyl-5-(p-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=CC=C(C=C1)C2=NN=C(N2C)SCC3=C(N=C4C=C(C=CC4=C3)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=C(N=C4C=C(C=CC4=C3)C)Cl

InChI

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