2-chloranyl-7,8-dimethyl-3-(pyrimidin-2-ylsulfanylmethyl)quinoline

Systemtic Name: 2-chloranyl-7,8-dimethyl-3-(pyrimidin-2-ylsulfanylmethyl)quinoline Openeye Name: 2-chloro-7,8-dimethyl-3-(pyrimidin-2-ylsulfanylmethyl)quinoline CAS Name: 2-chloro-7,8-dimethyl-3-[(2-pyrimidinylthio)methyl]quinoline IUPAC Name: 2-chloro-7,8-dimethyl-3-(pyrimidin-2-ylsulfanylmethyl)quinoline Traditional Name: 2-chloro-7,8-dimethyl-3-[(2-pyrimidylthio)methyl]quinoline Formula: C16H14ClN3S MolecularWeight: 315.82046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NC=CC=N3)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NC=CC=N3)Cl)C

InChI

InChI=1S/C16H14ClN3S/c1-10-4-5-12-8-13(15(17)20-14(12)11(10)2)9-21-16-18-6-3-7-19-16/h3-8H,9H2,1-2H3