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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=C2Cl)C)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=C2Cl)C)C4=CC=NC=C4

InChI

InChI=1S/C21H20ClN5S/c1-3-12-27-20(15-8-10-23-11-9-15)25-26-21(27)28-13-18-19(22)14(2)16-6-4-5-7-17(16)24-18/h4-11H,3,12-13H2,1-2H3