N-[(E)-1-methylsulfanyl-2-nitro-ethenyl]-4-pyridin-2-yl-butan-1-amine

Systemtic Name: N-[(E)-1-methylsulfanyl-2-nitro-ethenyl]-4-pyridin-2-yl-butan-1-amine Openeye Name: N-[(E)-1-methylsulfanyl-2-nitro-vinyl]-4-(2-pyridyl)butan-1-amine CAS Name: N-[(E)-1-(methylthio)-2-nitroethenyl]-4-(2-pyridinyl)-1-butanamine IUPAC Name: N-[(E)-1-methylsulfanyl-2-nitroethenyl]-4-pyridin-2-ylbutan-1-amine Traditional Name: [(E)-1-(methylthio)-2-nitro-vinyl]-[4-(2-pyridyl)butyl]amine Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C[N+](=O)[O-])NCCCCC1=CC=CC=N1

Isomeric SMILES

CS/C(=C/[N+](=O)[O-])/NCCCCC1=CC=CC=N1

InChI

InChI=1S/C12H17N3O2S/c1-18-12(10-15(16)17)14-9-5-3-7-11-6-2-4-8-13-11/h2,4,6,8,10,14H,3,5,7,9H2,1H3/b12-10+