1-[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl]sulfanyl-3-ethyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl]sulfanyl-3-ethyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[(3S)-3-cyano-4-imino-2-oxo-pentyl]sulfanyl-3-ethyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[[(3S)-3-cyano-4-imino-2-oxopentyl]thio]-3-ethyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[(3S)-3-cyano-4-imino-2-oxopentyl]sulfanyl-3-ethylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[[(3S)-3-cyano-4-imino-2-keto-pentyl]thio]-3-ethyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C20H17N5OS MolecularWeight: 375.44688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)[C@H](C#N)C(=N)C)C#N

InChI

InChI=1S/C20H17N5OS/c1-3-13-8-19(27-11-18(26)14(9-21)12(2)23)25-17-7-5-4-6-16(17)24-20(25)15(13)10-22/h4-8,14,23H,3,11H2,1-2H3/t14-/m1/s1