2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-3-oxidanylidene-but-1-enyl]phenyl]quinolin-6-yl]propanenitrile

Systemtic Name: 2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-3-oxidanylidene-but-1-enyl]phenyl]quinolin-6-yl]propanenitrile Openeye Name: 2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-3-oxo-but-1-enyl]phenyl]-6-quinolyl]propanenitrile CAS Name: 2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-3-oxobut-1-enyl]phenyl]-6-quinolinyl]propanenitrile IUPAC Name: 2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-3-oxobut-1-enyl]phenyl]quinolin-6-yl]propanenitrile Traditional Name: 2-[8-[3-[(Z)-3-keto-2-(4-mesylphenyl)but-1-enyl]phenyl]-6-quinolyl]-2-methyl-propionitrile Formula: C30H26N2O3S MolecularWeight: 494.60404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC(=C1)C2=C3C(=CC(=C2)C(C)(C)C#N)C=CC=N3)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(=O)/C(=C\C1=CC=CC(=C1)C2=C3C(=CC(=C2)C(C)(C)C#N)C=CC=N3)/C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C30H26N2O3S/c1-20(33)27(22-10-12-26(13-11-22)36(4,34)35)16-21-7-5-8-23(15-21)28-18-25(30(2,3)19-31)17-24-9-6-14-32-29(24)28/h5-18H,1-4H3/b27-16+