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

Systemtic Name: 2-[(3-cyclohexyl-4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanyl]ethanenitrile Openeye Name: 2-(3-cyclohexyl-4-oxo-benzothiopheno[3,2-d]pyrimidin-2-yl)sulfanylacetonitrile CAS Name: 2-[(3-cyclohexyl-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl)thio]acetonitrile IUPAC Name: 2-[(3-cyclohexyl-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetonitrile Traditional Name: 2-[(3-cyclohexyl-4-keto-benzothiopheno[3,2-d]pyrimidin-2-yl)thio]acetonitrile Formula: C18H17N3OS2 MolecularWeight: 355.47708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC#N

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC#N

InChI

InChI=1S/C18H17N3OS2/c19-10-11-23-18-20-15-13-8-4-5-9-14(13)24-16(15)17(22)21(18)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,11H2