3-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C18H18N2OS2 MolecularWeight: 342.47832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C3=C(C4=CC=CC=C4S3)NC2=S

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C3=C(C4=CC=CC=C4S3)NC2=S

InChI

InChI=1S/C18H18N2OS2/c21-17-16-15(13-8-4-5-9-14(13)23-16)19-18(22)20(17)11-10-12-6-2-1-3-7-12/h4-6,8-9H,1-3,7,10-11H2,(H,19,22)