N-(3-cyanothiophen-2-yl)-2-[(4-oxidanylidene-6-phenyl-3-prop-2-enyl-4aH-thieno[2,3-d]pyrimidin-3-ium-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[(4-oxidanylidene-6-phenyl-3-prop-2-enyl-4aH-thieno[2,3-d]pyrimidin-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(3-allyl-4-oxo-6-phenyl-4aH-thieno[2,3-d]pyrimidin-3-ium-2-yl)sulfanyl]-N-(3-cyano-2-thienyl)acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[(4-oxo-6-phenyl-3-prop-2-enyl-4aH-thieno[2,3-d]pyrimidin-3-ium-2-yl)thio]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[(4-oxo-6-phenyl-3-prop-2-enyl-4aH-thieno[2,3-d]pyrimidin-3-ium-2-yl)sulfanyl]acetamide Traditional Name: 2-[(3-allyl-4-keto-6-phenyl-4aH-thieno[2,3-d]pyrimidin-3-ium-2-yl)thio]-N-(3-cyano-2-thienyl)acetamide Formula: C22H17N4O2S3+ MolecularWeight: 465.59098

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(N=C2C(C1=O)C=C(S2)C3=CC=CC=C3)SCC(=O)NC4=C(C=CS4)C#N

Isomeric SMILES

C=CC[N+]1=C(N=C2C(C1=O)C=C(S2)C3=CC=CC=C3)SCC(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C22H16N4O2S3/c1-2-9-26-21(28)16-11-17(14-6-4-3-5-7-14)31-20(16)25-22(26)30-13-18(27)24-19-15(12-23)8-10-29-19/h2-8,10-11,16H,1,9,13H2/p+1