N-[(E)-1-methylsulfanyl-2-nitro-ethenyl]pent-4-yn-1-amine

Systemtic Name: N-[(E)-1-methylsulfanyl-2-nitro-ethenyl]pent-4-yn-1-amine Openeye Name: N-[(E)-1-methylsulfanyl-2-nitro-vinyl]pent-4-yn-1-amine CAS Name: N-[(E)-1-(methylthio)-2-nitroethenyl]-4-pentyn-1-amine IUPAC Name: N-[(E)-1-methylsulfanyl-2-nitroethenyl]pent-4-yn-1-amine Traditional Name: [(E)-1-(methylthio)-2-nitro-vinyl]-pent-4-ynyl-amine Formula: C8H12N2O2S MolecularWeight: 200.25808

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C[N+](=O)[O-])NCCCC#C

Isomeric SMILES

CS/C(=C/[N+](=O)[O-])/NCCCC#C

InChI

InChI=1S/C8H12N2O2S/c1-3-4-5-6-9-8(13-2)7-10(11)12/h1,7,9H,4-6H2,2H3/b8-7+