2-[(4-chlorophenyl)sulfanylmethyl]-4-cyclopropyl-6-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(4-chlorophenyl)sulfanylmethyl]-4-cyclopropyl-6-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2-[(4-chlorophenyl)sulfanylmethyl]-4-cyclopropyl-6-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 2-[[(4-chlorophenyl)thio]methyl]-4-cyclopropyl-6-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-[(4-chlorophenyl)sulfanylmethyl]-4-cyclopropyl-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 2-[[(4-chlorophenyl)thio]methyl]-4-cyclopropyl-6-(methylthio)pyrimidine-5-carbonitrile Formula: C16H14ClN3S2 MolecularWeight: 347.88546

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=C1C#N)C2CC2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CSC1=NC(=NC(=C1C#N)C2CC2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H14ClN3S2/c1-21-16-13(8-18)15(10-2-3-10)19-14(20-16)9-22-12-6-4-11(17)5-7-12/h4-7,10H,2-3,9H2,1H3