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

Systemtic Name: 2-[(3-cyclohexyl-4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(3-cyclohexyl-4-oxo-benzothiopheno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(3-cyclohexyl-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl)thio]methyl]benzonitrile IUPAC Name: 2-[(3-cyclohexyl-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(3-cyclohexyl-4-keto-benzothiopheno[3,2-d]pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C24H21N3OS2 MolecularWeight: 431.57304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC5=CC=CC=C5C#N

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC5=CC=CC=C5C#N

InChI

InChI=1S/C24H21N3OS2/c25-14-16-8-4-5-9-17(16)15-29-24-26-21-19-12-6-7-13-20(19)30-22(21)23(28)27(24)18-10-2-1-3-11-18/h4-9,12-13,18H,1-3,10-11,15H2