(E)-1-diazonio-3-phenylsulfanyl-but-1-en-2-olate; (phenylmethyl) carbamate

Systemtic Name: (E)-1-diazonio-3-phenylsulfanyl-but-1-en-2-olate; (phenylmethyl) carbamate Openeye Name: benzyl carbamate; (E)-1-diazonio-3-phenylsulfanyl-but-1-en-2-olate CAS Name: carbamic acid (phenylmethyl) ester; (E)-1-diazonio-3-(phenylthio)-1-buten-2-olate IUPAC Name: benzyl carbamate; (E)-1-diazonio-3-phenylsulfanylbut-1-en-2-olate Traditional Name: carbamic acid benzyl ester; (E)-1-diazonio-3-(phenylthio)but-1-en-2-olate Formula: C18H19N3O3S MolecularWeight: 357.42676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N2OS.C8H9NO2/c1-8(10(13)7-12-11)14-9-5-3-2-4-6-9;9-8(10)11-6-7-4-2-1-3-5-7/h2-8H,1H3;1-5H,6H2,(H2,9,10)/b10-7+;