(E)-2-(2-nitrophenyl)sulfanyl-3-pyrrolidin-1-yl-but-2-enenitrile

Systemtic Name: (E)-2-(2-nitrophenyl)sulfanyl-3-pyrrolidin-1-yl-but-2-enenitrile Openeye Name: (E)-2-(2-nitrophenyl)sulfanyl-3-pyrrolidin-1-yl-but-2-enenitrile CAS Name: (E)-2-[(2-nitrophenyl)thio]-3-(1-pyrrolidinyl)-2-butenenitrile IUPAC Name: (E)-2-(2-nitrophenyl)sulfanyl-3-pyrrolidin-1-ylbut-2-enenitrile Traditional Name: (E)-2-[(2-nitrophenyl)thio]-3-pyrrolidino-but-2-enenitrile Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)SC1=CC=CC=C1[N+](=O)[O-])N2CCCC2

Isomeric SMILES

C/C(=C(/C#N)\SC1=CC=CC=C1[N+](=O)[O-])/N2CCCC2

InChI

InChI=1S/C14H15N3O2S/c1-11(16-8-4-5-9-16)14(10-15)20-13-7-3-2-6-12(13)17(18)19/h2-3,6-7H,4-5,8-9H2,1H3/b14-11+