5-chloranyl-8-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline

Systemtic Name: 5-chloranyl-8-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 5-chloro-8-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 5-chloro-8-[[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 5-chloro-8-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 5-chloro-8-[[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C20H17ClN4S MolecularWeight: 380.89378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=NN=C2SCC3=C4C(=C(C=C3)Cl)C=CC=N4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=NN=C2SCC3=C4C(=C(C=C3)Cl)C=CC=N4)C

InChI

InChI=1S/C20H17ClN4S/c1-13-5-8-18(14(2)10-13)25-12-23-24-20(25)26-11-15-6-7-17(21)16-4-3-9-22-19(15)16/h3-10,12H,11H2,1-2H3