4-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]quinoline-3-carbonitrile

Systemtic Name: 4-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]quinoline-3-carbonitrile Openeye Name: 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]quinoline-3-carbonitrile CAS Name: 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-3-quinolinecarbonitrile IUPAC Name: 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]quinoline-3-carbonitrile Traditional Name: 4-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]quinoline-3-carbonitrile Formula: C15H10N4OS MolecularWeight: 294.3311

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC2=C(C=NC3=CC=CC=C32)C#N

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC2=C(C=NC3=CC=CC=C32)C#N

InChI

InChI=1S/C15H10N4OS/c1-9-6-13(20)19-15(18-9)21-14-10(7-16)8-17-12-5-3-2-4-11(12)14/h2-6,8H,1H3,(H,18,19,20)