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

Systemtic Name: [4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] 4-chloranylbenzoate Openeye Name: [4-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]phenyl] ester Formula: C21H14ClN3O2S MolecularWeight: 407.87276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NN=CC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N/N=C/C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H14ClN3O2S/c22-16-9-7-15(8-10-16)20(26)27-17-11-5-14(6-12-17)13-23-25-21-24-18-3-1-2-4-19(18)28-21/h1-13H,(H,24,25)/b23-13+