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

Systemtic Name: 2-[[3-(3-methylbutyl)-4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]ethanenitrile Openeye Name: 2-(3-isopentyl-4-oxo-benzothiopheno[3,2-d]pyrimidin-2-yl)sulfanylacetonitrile CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl]thio]acetonitrile IUPAC Name: 2-[[3-(3-methylbutyl)-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetonitrile Traditional Name: 2-[(3-isoamyl-4-keto-benzothiopheno[3,2-d]pyrimidin-2-yl)thio]acetonitrile Formula: C17H17N3OS2 MolecularWeight: 343.46638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC#N

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC#N

InChI

InChI=1S/C17H17N3OS2/c1-11(2)7-9-20-16(21)15-14(19-17(20)22-10-8-18)12-5-3-4-6-13(12)23-15/h3-6,11H,7,9-10H2,1-2H3