2-[(3R)-3-[(1S)-1-(4-dimethylaminophenyl)-2-nitro-ethyl]-2,3-dihydrothiochromen-4-ylidene]propanedinitrile

Systemtic Name: 2-[(3R)-3-[(1S)-1-(4-dimethylaminophenyl)-2-nitro-ethyl]-2,3-dihydrothiochromen-4-ylidene]propanedinitrile Openeye Name: 2-[(3R)-3-[(1S)-1-(4-dimethylaminophenyl)-2-nitro-ethyl]thiochroman-4-ylidene]propanedinitrile CAS Name: 2-[(3R)-3-[(1S)-1-(4-dimethylaminophenyl)-2-nitroethyl]-2,3-dihydro-1-benzothiopyran-4-ylidene]propanedinitrile IUPAC Name: 2-[(3R)-3-[(1S)-1-(4-dimethylaminophenyl)-2-nitroethyl]-2,3-dihydrothiochromen-4-ylidene]propanedinitrile Traditional Name: 2-[(3R)-3-[(1S)-1-(4-dimethylaminophenyl)-2-nitro-ethyl]thiochroman-4-ylidene]malononitrile Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C[N+](=O)[O-])C2CSC3=CC=CC=C3C2=C(C#N)C#N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@@H](C[N+](=O)[O-])[C@H]2CSC3=CC=CC=C3C2=C(C#N)C#N

InChI

InChI=1S/C22H20N4O2S/c1-25(2)17-9-7-15(8-10-17)19(13-26(27)28)20-14-29-21-6-4-3-5-18(21)22(20)16(11-23)12-24/h3-10,19-20H,13-14H2,1-2H3/t19-,20-/m1/s1