(E)-3-[[3-[2-(4-methylphenyl)sulfanylethanoylamino]phenyl]amino]-2-oxidanyl-3-oxidanylidene-prop-1-ene-1-diazonium

Systemtic Name: (E)-3-[[3-[2-(4-methylphenyl)sulfanylethanoylamino]phenyl]amino]-2-oxidanyl-3-oxidanylidene-prop-1-ene-1-diazonium Openeye Name: (E)-2-hydroxy-3-oxo-3-[3-[[2-(p-tolylsulfanyl)acetyl]amino]anilino]prop-1-ene-1-diazonium CAS Name: (E)-2-hydroxy-3-[3-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]anilino]-3-oxo-1-propene-1-diazonium IUPAC Name: (E)-2-hydroxy-3-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]anilino]-3-oxoprop-1-ene-1-diazonium Traditional Name: (E)-2-hydroxy-3-keto-3-[3-[[2-(p-tolylthio)acetyl]amino]anilino]prop-1-ene-1-diazonium Formula: C18H17N4O3S+ MolecularWeight: 369.41758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NC2=CC=CC(=C2)NC(=O)C(=C[N+]#N)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NC2=CC=CC(=C2)NC(=O)/C(=C\[N+]#N)/O

InChI

InChI=1S/C18H16N4O3S/c1-12-5-7-15(8-6-12)26-11-17(24)21-13-3-2-4-14(9-13)22-18(25)16(23)10-20-19/h2-10H,11H2,1H3,(H2-,21,22,23,24,25)/p+1/b16-10+