4-(4-methylphenyl)-2-methylsulfanyl-6-[(3-methylsulfanylphenyl)amino]pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-methylphenyl)-2-methylsulfanyl-6-[(3-methylsulfanylphenyl)amino]pyrimidine-5-carbonitrile Openeye Name: 2-methylsulfanyl-4-(3-methylsulfanylanilino)-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(4-methylphenyl)-2-(methylthio)-6-[3-(methylthio)anilino]-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-methylphenyl)-2-methylsulfanyl-6-(3-methylsulfanylanilino)pyrimidine-5-carbonitrile Traditional Name: 2-(methylthio)-4-[3-(methylthio)anilino]-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C20H18N4S2 MolecularWeight: 378.51372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4S2/c1-13-7-9-14(10-8-13)18-17(12-21)19(24-20(23-18)26-3)22-15-5-4-6-16(11-15)25-2/h4-11H,1-3H3,(H,22,23,24)