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

Systemtic Name: 2-[(3-butyl-4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanyl]ethanenitrile Openeye Name: 2-(3-butyl-4-oxo-benzothiopheno[3,2-d]pyrimidin-2-yl)sulfanylacetonitrile CAS Name: 2-[(3-butyl-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl)thio]acetonitrile IUPAC Name: 2-[(3-butyl-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetonitrile Traditional Name: 2-[(3-butyl-4-keto-benzothiopheno[3,2-d]pyrimidin-2-yl)thio]acetonitrile Formula: C16H15N3OS2 MolecularWeight: 329.4398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC#N

Isomeric SMILES

CCCCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC#N

InChI

InChI=1S/C16H15N3OS2/c1-2-3-9-19-15(20)14-13(18-16(19)21-10-8-17)11-6-4-5-7-12(11)22-14/h4-7H,2-3,9-10H2,1H3