6-methyl-2-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-methyl-2-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-methyl-2-(o-tolylmethylsulfanyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-methyl-2-[(2-methylphenyl)methylthio]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-methyl-2-[(2-methylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-methyl-2-[(2-methylbenzyl)thio]-1H-pyrimidine-5-carbonitrile Formula: C14H13N3OS MolecularWeight: 271.33752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC(=O)C(=C(N2)C)C#N

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC(=O)C(=C(N2)C)C#N

InChI

InChI=1S/C14H13N3OS/c1-9-5-3-4-6-11(9)8-19-14-16-10(2)12(7-15)13(18)17-14/h3-6H,8H2,1-2H3,(H,16,17,18)