6-ethyl-2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-ethyl-2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-ethyl-2-(m-tolylmethylsulfanyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-ethyl-2-[(3-methylphenyl)methylthio]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-ethyl-2-[(3-methylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-ethyl-4-keto-2-[(3-methylbenzyl)thio]-1H-pyrimidine-5-carbonitrile Formula: C15H15N3OS MolecularWeight: 285.3641

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCC2=CC=CC(=C2)C)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCC2=CC=CC(=C2)C)C#N

InChI

InChI=1S/C15H15N3OS/c1-3-13-12(8-16)14(19)18-15(17-13)20-9-11-6-4-5-10(2)7-11/h4-7H,3,9H2,1-2H3,(H,17,18,19)