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

Systemtic Name: 4-azanyl-2-[(4-chlorophenyl)sulfanylmethyl]-6-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(4-chlorophenyl)sulfanylmethyl]-6-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[(4-chlorophenyl)thio]methyl]-6-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(4-chlorophenyl)sulfanylmethyl]-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[(4-chlorophenyl)thio]methyl]-6-(methylthio)pyrimidine-5-carbonitrile Formula: C13H11ClN4S2 MolecularWeight: 322.83624

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=C1C#N)N)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

CSC1=NC(=NC(=C1C#N)N)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H11ClN4S2/c1-19-13-10(6-15)12(16)17-11(18-13)7-20-9-4-2-8(14)3-5-9/h2-5H,7H2,1H3,(H2,16,17,18)