3-chloranyl-6-(4-nitrophenyl)-4-pyrrolidin-1-yl-2,4-dihydrothiopyran-3-carbonitrile

Systemtic Name: 3-chloranyl-6-(4-nitrophenyl)-4-pyrrolidin-1-yl-2,4-dihydrothiopyran-3-carbonitrile Openeye Name: 3-chloro-6-(4-nitrophenyl)-4-pyrrolidin-1-yl-2,4-dihydrothiopyran-3-carbonitrile CAS Name: 3-chloro-6-(4-nitrophenyl)-4-(1-pyrrolidinyl)-2,4-dihydrothiopyran-3-carbonitrile IUPAC Name: 3-chloro-6-(4-nitrophenyl)-4-pyrrolidin-1-yl-2,4-dihydrothiopyran-3-carbonitrile Traditional Name: 3-chloro-6-(4-nitrophenyl)-4-pyrrolidino-2,4-dihydrothiopyran-3-carbonitrile Formula: C16H16ClN3O2S MolecularWeight: 349.83514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2C=C(SCC2(C#N)Cl)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2C=C(SCC2(C#N)Cl)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16ClN3O2S/c17-16(10-18)11-23-14(9-15(16)19-7-1-2-8-19)12-3-5-13(6-4-12)20(21)22/h3-6,9,15H,1-2,7-8,11H2