4-[[7-(2-dimethylaminoethylsulfonyl)-4-methyl-3-oxidanylidene-quinoxalin-2-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[7-(2-dimethylaminoethylsulfonyl)-4-methyl-3-oxidanylidene-quinoxalin-2-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[7-(2-dimethylaminoethylsulfonyl)-4-methyl-3-oxo-quinoxalin-2-yl]methyl]benzonitrile CAS Name: 4-[[7-(2-dimethylaminoethylsulfonyl)-4-methyl-3-oxo-2-quinoxalinyl]methyl]benzonitrile IUPAC Name: 4-[[7-(2-dimethylaminoethylsulfonyl)-4-methyl-3-oxoquinoxalin-2-yl]methyl]benzonitrile Traditional Name: 4-[[7-(2-dimethylaminoethylsulfonyl)-3-keto-4-methyl-quinoxalin-2-yl]methyl]benzonitrile Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)CCN(C)C)N=C(C1=O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)CCN(C)C)N=C(C1=O)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H22N4O3S/c1-24(2)10-11-29(27,28)17-8-9-20-18(13-17)23-19(21(26)25(20)3)12-15-4-6-16(14-22)7-5-15/h4-9,13H,10-12H2,1-3H3