4-(4-methylphenyl)-2-(phenylmethylsulfanyl)-6-(prop-2-enylamino)pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-methylphenyl)-2-(phenylmethylsulfanyl)-6-(prop-2-enylamino)pyrimidine-5-carbonitrile Openeye Name: 4-(allylamino)-2-benzylsulfanyl-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(4-methylphenyl)-2-(phenylmethylthio)-6-(prop-2-enylamino)-5-pyrimidinecarbonitrile IUPAC Name: 2-benzylsulfanyl-4-(4-methylphenyl)-6-(prop-2-enylamino)pyrimidine-5-carbonitrile Traditional Name: 4-(allylamino)-2-(benzylthio)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C22H20N4S MolecularWeight: 372.486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=CC=CC=C3)NCC=C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=CC=CC=C3)NCC=C)C#N

InChI

InChI=1S/C22H20N4S/c1-3-13-24-21-19(14-23)20(18-11-9-16(2)10-12-18)25-22(26-21)27-15-17-7-5-4-6-8-17/h3-12H,1,13,15H2,2H3,(H,24,25,26)