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

Systemtic Name: 2-[(3-butyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(3-butyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(3-butyl-4-oxo-2-thieno[3,2-d]pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 2-[(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(3-butyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C18H17N3OS2 MolecularWeight: 355.47708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=CS2)N=C1SCC3=CC=CC=C3C#N

Isomeric SMILES

CCCCN1C(=O)C2=C(C=CS2)N=C1SCC3=CC=CC=C3C#N

InChI

InChI=1S/C18H17N3OS2/c1-2-3-9-21-17(22)16-15(8-10-23-16)20-18(21)24-12-14-7-5-4-6-13(14)11-19/h4-8,10H,2-3,9,12H2,1H3