4-oxidanylidene-2-(phenylmethylsulfanyl)-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 4-oxidanylidene-2-(phenylmethylsulfanyl)-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-4-oxo-6-(2-thienyl)-1H-pyrimidine-5-carbonitrile CAS Name: 4-oxo-2-(phenylmethylthio)-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-benzylsulfanyl-4-oxo-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-4-keto-6-(2-thienyl)-1H-pyrimidine-5-carbonitrile Formula: C16H11N3OS2 MolecularWeight: 325.40804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)C3=CC=CS3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)C3=CC=CS3)C#N

InChI

InChI=1S/C16H11N3OS2/c17-9-12-14(13-7-4-8-21-13)18-16(19-15(12)20)22-10-11-5-2-1-3-6-11/h1-8H,10H2,(H,18,19,20)