6-[[3-(4-methoxyphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyridine-3-carbonitrile

Systemtic Name: 6-[[3-(4-methoxyphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyridine-3-carbonitrile Openeye Name: 6-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]pyridine-3-carbonitrile CAS Name: 6-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyridine-3-carbonitrile Traditional Name: 6-[[4-keto-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]nicotinonitrile Formula: C23H18N4O2S2 MolecularWeight: 446.54462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SC4=NC=C(C=C4)C#N)SC5=C3CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SC4=NC=C(C=C4)C#N)SC5=C3CCCC5

InChI

InChI=1S/C23H18N4O2S2/c1-29-16-9-7-15(8-10-16)27-22(28)20-17-4-2-3-5-18(17)30-21(20)26-23(27)31-19-11-6-14(12-24)13-25-19/h6-11,13H,2-5H2,1H3