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

Systemtic Name: 2-[(3-butyl-4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(3-butyl-4-oxo-benzothiopheno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(3-butyl-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl)thio]methyl]benzonitrile IUPAC Name: 2-[(3-butyl-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(3-butyl-4-keto-benzothiopheno[3,2-d]pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C22H19N3OS2 MolecularWeight: 405.53576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC4=CC=CC=C4C#N

Isomeric SMILES

CCCCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC4=CC=CC=C4C#N

InChI

InChI=1S/C22H19N3OS2/c1-2-3-12-25-21(26)20-19(17-10-6-7-11-18(17)28-20)24-22(25)27-14-16-9-5-4-8-15(16)13-23/h4-11H,2-3,12,14H2,1H3