(E)-2-[5-(4-chlorophenyl)carbonyl-1-methyl-4-methylsulfanyl-pyrrol-2-yl]-2-oxidanyl-ethenediazonium

Systemtic Name: (E)-2-[5-(4-chlorophenyl)carbonyl-1-methyl-4-methylsulfanyl-pyrrol-2-yl]-2-oxidanyl-ethenediazonium Openeye Name: (E)-2-[5-(4-chlorobenzoyl)-1-methyl-4-methylsulfanyl-pyrrol-2-yl]-2-hydroxy-ethenediazonium CAS Name: (E)-2-[5-[(4-chlorophenyl)-oxomethyl]-1-methyl-4-(methylthio)-2-pyrrolyl]-2-hydroxyethenediazonium IUPAC Name: (E)-2-[5-(4-chlorobenzoyl)-1-methyl-4-methylsulfanylpyrrol-2-yl]-2-hydroxyethenediazonium Traditional Name: (E)-2-[5-(4-chlorobenzoyl)-1-methyl-4-(methylthio)pyrrol-2-yl]-2-hydroxy-ethenediazonium Formula: C15H13ClN3O2S+ MolecularWeight: 334.80062

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=C1C(=O)C2=CC=C(C=C2)Cl)SC)C(=C[N+]#N)O

Isomeric SMILES

CN1C(=CC(=C1C(=O)C2=CC=C(C=C2)Cl)SC)/C(=C\[N+]#N)/O

InChI

InChI=1S/C15H12ClN3O2S/c1-19-11(12(20)8-18-17)7-13(22-2)14(19)15(21)9-3-5-10(16)6-4-9/h3-8H,1-2H3/p+1/b12-8+