2-butylsulfanyl-4-chloranyl-6-thiophen-2-yl-pyrimidine-5-carbonitrile

Systemtic Name: 2-butylsulfanyl-4-chloranyl-6-thiophen-2-yl-pyrimidine-5-carbonitrile Openeye Name: 2-butylsulfanyl-4-chloro-6-(2-thienyl)pyrimidine-5-carbonitrile CAS Name: 2-(butylthio)-4-chloro-6-thiophen-2-yl-5-pyrimidinecarbonitrile IUPAC Name: 2-butylsulfanyl-4-chloro-6-thiophen-2-ylpyrimidine-5-carbonitrile Traditional Name: 2-(butylthio)-4-chloro-6-(2-thienyl)pyrimidine-5-carbonitrile Formula: C13H12ClN3S2 MolecularWeight: 309.83748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=C(C(=N1)Cl)C#N)C2=CC=CS2

Isomeric SMILES

CCCCSC1=NC(=C(C(=N1)Cl)C#N)C2=CC=CS2

InChI

InChI=1S/C13H12ClN3S2/c1-2-3-6-19-13-16-11(10-5-4-7-18-10)9(8-15)12(14)17-13/h4-5,7H,2-3,6H2,1H3