[3-[(3E)-3-[bis(azanyl)methylidenehydrazinylidene]propoxy]-5-methyl-phenyl] 2-cyanobenzenesulfonate

Systemtic Name: [3-[(3E)-3-[bis(azanyl)methylidenehydrazinylidene]propoxy]-5-methyl-phenyl] 2-cyanobenzenesulfonate Openeye Name: [3-[(3E)-3-(diaminomethylenehydrazono)propoxy]-5-methyl-phenyl] 2-cyanobenzenesulfonate CAS Name: 2-cyanobenzenesulfonic acid [3-[(3E)-3-(diaminomethylidenehydrazinylidene)propoxy]-5-methylphenyl] ester IUPAC Name: [3-[(3E)-3-(diaminomethylidenehydrazinylidene)propoxy]-5-methylphenyl] 2-cyanobenzenesulfonate Traditional Name: 2-cyanobenzenesulfonic acid [3-[(3E)-3-(diaminomethylenehydrazono)propoxy]-5-methyl-phenyl] ester Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C#N)OCCC=NN=C(N)N

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C#N)OCC/C=N/N=C(N)N

InChI

InChI=1S/C18H19N5O4S/c1-13-9-15(26-8-4-7-22-23-18(20)21)11-16(10-13)27-28(24,25)17-6-3-2-5-14(17)12-19/h2-3,5-7,9-11H,4,8H2,1H3,(H4,20,21,23)/b22-7+