methanesulfonate; phenyl 4-[bis(azanyl)methylideneamino]-2-ethylsulfanyl-benzoate

Systemtic Name: methanesulfonate; phenyl 4-[bis(azanyl)methylideneamino]-2-ethylsulfanyl-benzoate Openeye Name: methanesulfonate; phenyl 2-ethylsulfanyl-4-guanidino-benzoate CAS Name: 4-(diaminomethylideneamino)-2-(ethylthio)benzoic acid phenyl ester; methanesulfonate IUPAC Name: methanesulfonate; phenyl 4-(diaminomethylideneamino)-2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)-4-guanidino-benzoic acid phenyl ester mesylate Formula: C17H20N3O5S2- MolecularWeight: 410.4878

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC(=C1)N=C(N)N)C(=O)OC2=CC=CC=C2.CS(=O)(=O)[O-]

Isomeric SMILES

CCSC1=C(C=CC(=C1)N=C(N)N)C(=O)OC2=CC=CC=C2.CS(=O)(=O)[O-]

InChI

InChI=1S/C16H17N3O2S.CH4O3S/c1-2-22-14-10-11(19-16(17)18)8-9-13(14)15(20)21-12-6-4-3-5-7-12;1-5(2,3)4/h3-10H,2H2,1H3,(H4,17,18,19);1H3,(H,2,3,4)/p-1