4-[(4-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(4-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(4-keto-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C15H13N3OS MolecularWeight: 283.34822

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)NC(=NC2=O)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CC2=C(C1)NC(=NC2=O)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C15H13N3OS/c16-8-10-4-6-11(7-5-10)9-20-15-17-13-3-1-2-12(13)14(19)18-15/h4-7H,1-3,9H2,(H,17,18,19)