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

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(m-tolylmethylsulfanyl)-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(3-methylphenyl)methylthio]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-[(3-methylbenzyl)thio]-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C19H15N3OS MolecularWeight: 333.4069

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C19H15N3OS/c1-13-6-5-7-14(10-13)12-24-19-21-17(15-8-3-2-4-9-15)16(11-20)18(23)22-19/h2-10H,12H2,1H3,(H,21,22,23)