4-[(3-ethyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(3-ethyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(3-ethyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(3-ethyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C20H19N3OS2 MolecularWeight: 381.51436

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C#N)SC4=C2CCCC4

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C#N)SC4=C2CCCC4

InChI

InChI=1S/C20H19N3OS2/c1-2-23-19(24)17-15-5-3-4-6-16(15)26-18(17)22-20(23)25-12-14-9-7-13(11-21)8-10-14/h7-10H,2-6,12H2,1H3