4-(1-hexylbenzimidazol-2-yl)sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-(1-hexylbenzimidazol-2-yl)sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile Openeye Name: 4-(1-hexylbenzimidazol-2-yl)sulfanyl-2-(4-methylthiazol-2-yl)-3-oxo-butanenitrile CAS Name: 4-[(1-hexyl-2-benzimidazolyl)thio]-2-(4-methyl-2-thiazolyl)-3-oxobutanenitrile IUPAC Name: 4-(1-hexylbenzimidazol-2-yl)sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile Traditional Name: 4-[(1-hexylbenzimidazol-2-yl)thio]-3-keto-2-(4-methylthiazol-2-yl)butyronitrile Formula: C21H24N4OS2 MolecularWeight: 412.57146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)C(C#N)C3=NC(=CS3)C

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)C(C#N)C3=NC(=CS3)C

InChI

InChI=1S/C21H24N4OS2/c1-3-4-5-8-11-25-18-10-7-6-9-17(18)24-21(25)28-14-19(26)16(12-22)20-23-15(2)13-27-20/h6-7,9-10,13,16H,3-5,8,11,14H2,1-2H3