azanylidyneazanium; ethyl 4-methoxy-2-(methylamino)-6-(4-methylphenyl)sulfanyl-benzoate

Systemtic Name: azanylidyneazanium; ethyl 4-methoxy-2-(methylamino)-6-(4-methylphenyl)sulfanyl-benzoate Openeye Name: ethyl 4-methoxy-2-(methylamino)-6-(p-tolylsulfanyl)benzoate; nitridoammonium CAS Name: 4-methoxy-2-(methylamino)-6-[(4-methylphenyl)thio]benzoic acid ethyl ester; nitriloammonium IUPAC Name: azanylidyneazanium; ethyl 4-methoxy-2-(methylamino)-6-(4-methylphenyl)sulfanylbenzoate Traditional Name: 4-methoxy-2-(methylamino)-6-(p-tolylthio)benzoic acid ethyl ester; nitriloammonium Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1NC)OC)SC2=CC=C(C=C2)C.[NH+]#N

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1NC)OC)SC2=CC=C(C=C2)C.[NH+]#N

InChI

InChI=1S/C18H21NO3S.N2/c1-5-22-18(20)17-15(19-3)10-13(21-4)11-16(17)23-14-8-6-12(2)7-9-14;1-2/h6-11,19H,5H2,1-4H3;/p+1