2-[(4-oxidanylidene-3-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanenitrile

Systemtic Name: 2-[(4-oxidanylidene-3-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanenitrile Openeye Name: 2-(4-oxo-3-phenyl-benzothiopheno[2,3-d]pyrimidin-2-yl)sulfanylacetonitrile CAS Name: 2-[(4-oxo-3-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]acetonitrile IUPAC Name: 2-[(4-oxo-3-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetonitrile Traditional Name: 2-[(4-keto-3-phenyl-benzothiopheno[2,3-d]pyrimidin-2-yl)thio]acetonitrile Formula: C18H11N3OS2 MolecularWeight: 349.42944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC#N)SC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC#N)SC4=CC=CC=C43

InChI

InChI=1S/C18H11N3OS2/c19-10-11-23-18-20-16-15(13-8-4-5-9-14(13)24-16)17(22)21(18)12-6-2-1-3-7-12/h1-9H,11H2