(E)-2-oxidanyl-3-(phenylmethoxycarbonylamino)-4-phenylsulfanyl-but-1-ene-1-diazonium

Systemtic Name: (E)-2-oxidanyl-3-(phenylmethoxycarbonylamino)-4-phenylsulfanyl-but-1-ene-1-diazonium Openeye Name: (E)-3-(benzyloxycarbonylamino)-2-hydroxy-4-phenylsulfanyl-but-1-ene-1-diazonium CAS Name: (E)-2-hydroxy-3-(phenylmethoxycarbonylamino)-4-(phenylthio)-1-butene-1-diazonium IUPAC Name: (E)-2-hydroxy-3-(phenylmethoxycarbonylamino)-4-phenylsulfanylbut-1-ene-1-diazonium Traditional Name: (E)-3-(benzyloxycarbonylamino)-2-hydroxy-4-(phenylthio)but-1-ene-1-diazonium Formula: C18H18N3O3S+ MolecularWeight: 356.41882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CSC2=CC=CC=C2)C(=C[N+]#N)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CSC2=CC=CC=C2)/C(=C\[N+]#N)/O

InChI

InChI=1S/C18H17N3O3S/c19-20-11-17(22)16(13-25-15-9-5-2-6-10-15)21-18(23)24-12-14-7-3-1-4-8-14/h1-11,16H,12-13H2,(H-,21,22,23)/p+1/b17-11+