(3S)-6-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4,4-dimethyl-2-oxidanylidene-1,3-dihydropyridine-3,5-dicarbonitrile

Systemtic Name: (3S)-6-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4,4-dimethyl-2-oxidanylidene-1,3-dihydropyridine-3,5-dicarbonitrile Openeye Name: (3S)-6-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4,4-dimethyl-2-oxo-1,3-dihydropyridine-3,5-dicarbonitrile CAS Name: (3S)-6-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4,4-dimethyl-2-oxo-1,3-dihydropyridine-3,5-dicarbonitrile IUPAC Name: (3S)-6-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4,4-dimethyl-2-oxo-1,3-dihydropyridine-3,5-dicarbonitrile Traditional Name: (3S)-6-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-2-keto-4,4-dimethyl-1,3-dihydropyridine-3,5-dicarbonitrile Formula: C17H14BrN3O3S MolecularWeight: 420.28036

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=O)NC(=C1C#N)SCC2=CC3=C(C=C2Br)OCO3)C#N)C

Isomeric SMILES

CC1([C@H](C(=O)NC(=C1C#N)SCC2=CC3=C(C=C2Br)OCO3)C#N)C

InChI

InChI=1S/C17H14BrN3O3S/c1-17(2)10(5-19)15(22)21-16(11(17)6-20)25-7-9-3-13-14(4-12(9)18)24-8-23-13/h3-4,10H,7-8H2,1-2H3,(H,21,22)/t10-/m0/s1