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

Systemtic Name: [4-methyl-2-[(E)-[(4-oxidanylidene-5-propan-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [2-[(E)-[(5-isopropyl-4-oxo-thiazol-2-yl)hydrazono]methyl]-4-methyl-phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-methyl-2-[(E)-[(4-oxo-5-propan-2-yl-2-thiazolyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-methyl-2-[(E)-[(4-oxo-5-propan-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [2-[(E)-[(5-isopropyl-4-keto-2-thiazolin-2-yl)hydrazono]methyl]-4-methyl-phenyl] ester Formula: C20H20N4O6S2 MolecularWeight: 476.526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C=NNC3=NC(=O)C(S3)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])/C=N/NC3=NC(=O)C(S3)C(C)C

InChI

InChI=1S/C20H20N4O6S2/c1-12(2)18-19(25)22-20(31-18)23-21-11-14-9-13(3)7-8-17(14)30-32(28,29)16-6-4-5-15(10-16)24(26)27/h4-12,18H,1-3H3,(H,22,23,25)/b21-11+