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

Systemtic Name: 2-chloranyl-3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethyl-quinoline Openeye Name: 2-chloro-3-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-quinoline CAS Name: 2-chloro-3-[[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-7,8-dimethylquinoline IUPAC Name: 2-chloro-3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethylquinoline Traditional Name: 2-chloro-3-[[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-quinoline Formula: C21H20ClN5S MolecularWeight: 409.935

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(N=C3C(=C(C=CC3=C2)C)C)Cl)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(N=C3C(=C(C=CC3=C2)C)C)Cl)C4=CC=NC=C4

InChI

InChI=1S/C21H20ClN5S/c1-4-27-20(15-7-9-23-10-8-15)25-26-21(27)28-12-17-11-16-6-5-13(2)14(3)18(16)24-19(17)22/h5-11H,4,12H2,1-3H3