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

Systemtic Name: 2-[(3S)-3-[(1R)-2-nitro-1-phenyl-ethyl]-2,3-dihydrothiochromen-4-ylidene]propanedinitrile Openeye Name: 2-[(3S)-3-[(1R)-2-nitro-1-phenyl-ethyl]thiochroman-4-ylidene]propanedinitrile CAS Name: 2-[(3S)-3-[(1R)-2-nitro-1-phenylethyl]-2,3-dihydro-1-benzothiopyran-4-ylidene]propanedinitrile IUPAC Name: 2-[(3S)-3-[(1R)-2-nitro-1-phenylethyl]-2,3-dihydrothiochromen-4-ylidene]propanedinitrile Traditional Name: 2-[(3S)-3-[(1R)-2-nitro-1-phenyl-ethyl]thiochroman-4-ylidene]malononitrile Formula: C20H15N3O2S MolecularWeight: 361.417

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=C(C#N)C#N)C2=CC=CC=C2S1)C(C[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1[C@H](C(=C(C#N)C#N)C2=CC=CC=C2S1)[C@@H](C[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H15N3O2S/c21-10-15(11-22)20-16-8-4-5-9-19(16)26-13-18(20)17(12-23(24)25)14-6-2-1-3-7-14/h1-9,17-18H,12-13H2/t17-,18-/m0/s1