4-(4-methylphenyl)-6-[(4-methylphenyl)amino]-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-methylphenyl)-6-[(4-methylphenyl)amino]-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(4-methylanilino)-2-methylsulfanyl-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(4-methylanilino)-6-(4-methylphenyl)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-methylanilino)-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 2-(methylthio)-4-(p-toluidino)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C20H18N4S MolecularWeight: 346.44872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NC3=CC=C(C=C3)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NC3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C20H18N4S/c1-13-4-8-15(9-5-13)18-17(12-21)19(24-20(23-18)25-3)22-16-10-6-14(2)7-11-16/h4-11H,1-3H3,(H,22,23,24)