[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]phenyl] ester Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=NNC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2/C=N/NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H17N3O3S2/c1-15-10-12-17(13-11-15)29(25,26)27-19-8-4-2-6-16(19)14-22-24-21-23-18-7-3-5-9-20(18)28-21/h2-14H,1H3,(H,23,24)/b22-14+