[2-[(E)-[(5-decyl-4-oxidanylidene-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-methyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(E)-[(5-decyl-4-oxidanylidene-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-methyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[(E)-[(5-decyl-4-oxo-thiazol-2-yl)hydrazono]methyl]-4-methyl-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(E)-[(5-decyl-4-oxo-2-thiazolyl)hydrazinylidene]methyl]-4-methylphenyl] ester IUPAC Name: [2-[(E)-[(5-decyl-4-oxo-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-methylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(E)-[(5-decyl-4-keto-2-thiazolin-2-yl)hydrazono]methyl]-4-methyl-phenyl] ester Formula: C28H37N3O4S2 MolecularWeight: 543.74108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1C(=O)N=C(S1)NN=CC2=C(C=CC(=C2)C)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCCCC1C(=O)N=C(S1)N/N=C/C2=C(C=CC(=C2)C)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C28H37N3O4S2/c1-4-5-6-7-8-9-10-11-12-26-27(32)30-28(36-26)31-29-20-23-19-22(3)15-18-25(23)35-37(33,34)24-16-13-21(2)14-17-24/h13-20,26H,4-12H2,1-3H3,(H,30,31,32)/b29-20+