1-[4-[5-chloranyl-2-(phenylmethyl)sulfonyl-phenyl]-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde

Systemtic Name: 1-[4-[5-chloranyl-2-(phenylmethyl)sulfonyl-phenyl]-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde Openeye Name: 1-[4-(2-benzylsulfonyl-5-chloro-phenyl)thiazol-2-yl]pyrrole-2-carbaldehyde CAS Name: 1-[4-[5-chloro-2-(phenylmethyl)sulfonylphenyl]-2-thiazolyl]-2-pyrrolecarboxaldehyde IUPAC Name: 1-[4-(2-benzylsulfonyl-5-chlorophenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde Traditional Name: 1-[4-(2-benzylsulfonyl-5-chloro-phenyl)thiazol-2-yl]pyrrole-2-carbaldehyde Formula: C21H15ClN2O3S2 MolecularWeight: 442.9384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C2=C(C=C(C=C2)Cl)C3=CSC(=N3)N4C=CC=C4C=O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C2=C(C=C(C=C2)Cl)C3=CSC(=N3)N4C=CC=C4C=O

InChI

InChI=1S/C21H15ClN2O3S2/c22-16-8-9-20(29(26,27)14-15-5-2-1-3-6-15)18(11-16)19-13-28-21(23-19)24-10-4-7-17(24)12-25/h1-13H,14H2