3-[2-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]benzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]benzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methylsulfanyl]benzimidazol-1-yl]propanenitrile CAS Name: 3-[2-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methylsulfanyl]benzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methylthio]benzimidazol-1-yl]propionitrile Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC4=CC=CC=C4N3CCC#N)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC4=CC=CC=C4N3CCC#N)O

InChI

InChI=1S/C21H17N3O3S/c1-13-18(25)8-7-15-14(11-19(26)27-20(13)15)12-28-21-23-16-5-2-3-6-17(16)24(21)10-4-9-22/h2-3,5-8,11,25H,4,10,12H2,1H3