ethyl 7-chloranyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinoline-3-carboxylate

Systemtic Name: ethyl 7-chloranyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinoline-3-carboxylate Openeye Name: ethyl 7-chloro-4-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]quinoline-3-carboxylate CAS Name: 7-chloro-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinoline-3-carboxylate Traditional Name: 7-chloro-4-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]quinoline-3-carboxylic acid ethyl ester Formula: C20H16ClN5O2S MolecularWeight: 425.89134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=C(C=CC2=C1SC3=NN=C(N3C)C4=CC=NC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C=C(C=CC2=C1SC3=NN=C(N3C)C4=CC=NC=C4)Cl

InChI

InChI=1S/C20H16ClN5O2S/c1-3-28-19(27)15-11-23-16-10-13(21)4-5-14(16)17(15)29-20-25-24-18(26(20)2)12-6-8-22-9-7-12/h4-11H,3H2,1-2H3