2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-(4-oxidanylidene-3-prop-2-enyl-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-pentanenitrile

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-(4-oxidanylidene-3-prop-2-enyl-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-pentanenitrile Openeye Name: 4-(3-allyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-pentanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(4-oxo-3-prop-2-enyl-2-thieno[3,2-d]pyrimidinyl)thio]pentanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(4-oxo-3-prop-2-enylthieno[3,2-d]pyrimidin-2-yl)sulfanylpentanenitrile Traditional Name: 4-[(3-allyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-valeronitrile Formula: C21H17N5O2S2 MolecularWeight: 435.52198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1NC2=CC=CC=C2N1)C#N)SC3=NC4=C(C(=O)N3CC=C)SC=C4

Isomeric SMILES

CC(C(=O)C(=C1NC2=CC=CC=C2N1)C#N)SC3=NC4=C(C(=O)N3CC=C)SC=C4

InChI

InChI=1S/C21H17N5O2S2/c1-3-9-26-20(28)18-16(8-10-29-18)25-21(26)30-12(2)17(27)13(11-22)19-23-14-6-4-5-7-15(14)24-19/h3-8,10,12,23-24H,1,9H2,2H3