4-(4-tert-butylphenyl)-6-chloranyl-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-tert-butylphenyl)-6-chloranyl-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(4-tert-butylphenyl)-6-chloro-2-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-(4-tert-butylphenyl)-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-tert-butylphenyl)-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(4-tert-butylphenyl)-6-chloro-2-(methylthio)pyrimidine-5-carbonitrile Formula: C16H16ClN3S MolecularWeight: 317.83634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)Cl)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)Cl)C#N

InChI

InChI=1S/C16H16ClN3S/c1-16(2,3)11-7-5-10(6-8-11)13-12(9-18)14(17)20-15(19-13)21-4/h5-8H,1-4H3