1-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl]sulfanyl-3-ethyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl]sulfanyl-3-ethyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl]sulfanyl-3-ethyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl]thio]-3-ethyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl]sulfanyl-3-ethylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl]thio]-3-ethyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C25H18N6OS MolecularWeight: 450.51502

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)C(=C4NC5=CC=CC=C5N4)C#N)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)C(=C4NC5=CC=CC=C5N4)C#N)C#N

InChI

InChI=1S/C25H18N6OS/c1-2-15-11-23(31-21-10-6-5-9-20(21)30-25(31)16(15)12-26)33-14-22(32)17(13-27)24-28-18-7-3-4-8-19(18)29-24/h3-11,28-29H,2,14H2,1H3