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

Systemtic Name: 2-[(4-oxidanylidene-3-phenethyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanyl]ethanenitrile Openeye Name: 2-(4-oxo-3-phenethyl-benzothiopheno[3,2-d]pyrimidin-2-yl)sulfanylacetonitrile CAS Name: 2-[(4-oxo-3-phenethyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)thio]acetonitrile IUPAC Name: 2-[(4-oxo-3-phenethyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetonitrile Traditional Name: 2-[(4-keto-3-phenethyl-benzothiopheno[3,2-d]pyrimidin-2-yl)thio]acetonitrile Formula: C20H15N3OS2 MolecularWeight: 377.4826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC#N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC#N

InChI

InChI=1S/C20H15N3OS2/c21-11-13-25-20-22-17-15-8-4-5-9-16(15)26-18(17)19(24)23(20)12-10-14-6-2-1-3-7-14/h1-9H,10,12-13H2