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

Systemtic Name: [3-[(E)-[(4-oxidanylidene-5-propan-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-[(E)-[(5-isopropyl-4-oxo-thiazol-2-yl)hydrazono]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[(E)-[(4-oxo-5-propan-2-yl-2-thiazolyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-[(E)-[(4-oxo-5-propan-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[(E)-[(5-isopropyl-4-keto-2-thiazolin-2-yl)hydrazono]methyl]phenyl] ester Formula: C20H21N3O4S2 MolecularWeight: 431.52844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C=NNC3=NC(=O)C(S3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)/C=N/NC3=NC(=O)C(S3)C(C)C

InChI

InChI=1S/C20H21N3O4S2/c1-13(2)18-19(24)22-20(28-18)23-21-12-15-5-4-6-16(11-15)27-29(25,26)17-9-7-14(3)8-10-17/h4-13,18H,1-3H3,(H,22,23,24)/b21-12+