2-[3-(3-methylbutyl)-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-(3-methylbutyl)-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-isopentyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[3-(3-methylbutyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-isoamyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetonitrile Formula: C17H17N3OS3 MolecularWeight: 375.53138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(N=C1SCC#N)SC=C2C3=CC=CS3

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(N=C1SCC#N)SC=C2C3=CC=CS3

InChI

InChI=1S/C17H17N3OS3/c1-11(2)5-7-20-16(21)14-12(13-4-3-8-22-13)10-24-15(14)19-17(20)23-9-6-18/h3-4,8,10-11H,5,7,9H2,1-2H3