(E)-1-nitro-N-[[2-(phenylmethylsulfanyl)-1,3-thiazol-5-yl]methyl]prop-1-en-2-amine

Systemtic Name: (E)-1-nitro-N-[[2-(phenylmethylsulfanyl)-1,3-thiazol-5-yl]methyl]prop-1-en-2-amine Openeye Name: (E)-N-[(2-benzylsulfanylthiazol-5-yl)methyl]-1-nitro-prop-1-en-2-amine CAS Name: (E)-1-nitro-N-[[2-(phenylmethylthio)-5-thiazolyl]methyl]-1-propen-2-amine IUPAC Name: (E)-N-[(2-benzylsulfanyl-1,3-thiazol-5-yl)methyl]-1-nitroprop-1-en-2-amine Traditional Name: [2-(benzylthio)thiazol-5-yl]methyl-[(E)-1-methyl-2-nitro-vinyl]amine Formula: C14H15N3O2S2 MolecularWeight: 321.4178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C[N+](=O)[O-])NCC1=CN=C(S1)SCC2=CC=CC=C2

Isomeric SMILES

C/C(=C\[N+](=O)[O-])/NCC1=CN=C(S1)SCC2=CC=CC=C2

InChI

InChI=1S/C14H15N3O2S2/c1-11(9-17(18)19)15-7-13-8-16-14(21-13)20-10-12-5-3-2-4-6-12/h2-6,8-9,15H,7,10H2,1H3/b11-9+