3-methyl-1-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-methyl-1-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-methyl-1-[4-oxo-4-(2-thienyl)butyl]sulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-[(4-oxo-4-thiophen-2-ylbutyl)thio]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-1-(4-oxo-4-thiophen-2-ylbutyl)sulfanylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[[4-keto-4-(2-thienyl)butyl]thio]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C21H17N3OS2 MolecularWeight: 391.50918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCCCC(=O)C4=CC=CS4)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCCCC(=O)C4=CC=CS4)C#N

InChI

InChI=1S/C21H17N3OS2/c1-14-12-20(27-11-4-8-18(25)19-9-5-10-26-19)24-17-7-3-2-6-16(17)23-21(24)15(14)13-22/h2-3,5-7,9-10,12H,4,8,11H2,1H3