N-[(Z)-2-nitro-1-(phenylmethylsulfanyl)ethenyl]prop-2-yn-1-amine

Systemtic Name: N-[(Z)-2-nitro-1-(phenylmethylsulfanyl)ethenyl]prop-2-yn-1-amine Openeye Name: N-[(Z)-1-benzylsulfanyl-2-nitro-vinyl]prop-2-yn-1-amine CAS Name: N-[(Z)-2-nitro-1-(phenylmethylthio)ethenyl]-2-propyn-1-amine IUPAC Name: N-[(Z)-1-benzylsulfanyl-2-nitroethenyl]prop-2-yn-1-amine Traditional Name: [(Z)-1-(benzylthio)-2-nitro-vinyl]-propargyl-amine Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=C[N+](=O)[O-])SCC1=CC=CC=C1

Isomeric SMILES

C#CCN/C(=C/[N+](=O)[O-])/SCC1=CC=CC=C1

InChI

InChI=1S/C12H12N2O2S/c1-2-8-13-12(9-14(15)16)17-10-11-6-4-3-5-7-11/h1,3-7,9,13H,8,10H2/b12-9-