2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-6-(2-thienyl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(4-chlorophenyl)methylthio]-4-oxo-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[(4-chlorobenzyl)thio]-4-keto-6-(2-thienyl)-1H-pyrimidine-5-carbonitrile Formula: C16H10ClN3OS2 MolecularWeight: 359.8531

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1=CSC(=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C16H10ClN3OS2/c17-11-5-3-10(4-6-11)9-23-16-19-14(13-2-1-7-22-13)12(8-18)15(21)20-16/h1-7H,9H2,(H,19,20,21)