1-[4-[4-(phenylmethyl)sulfonylphenyl]-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde

Systemtic Name: 1-[4-[4-(phenylmethyl)sulfonylphenyl]-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde Openeye Name: 1-[4-(4-benzylsulfonylphenyl)thiazol-2-yl]pyrrole-2-carbaldehyde CAS Name: 1-[4-[4-(phenylmethyl)sulfonylphenyl]-2-thiazolyl]-2-pyrrolecarboxaldehyde IUPAC Name: 1-[4-(4-benzylsulfonylphenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde Traditional Name: 1-[4-(4-benzylsulfonylphenyl)thiazol-2-yl]pyrrole-2-carbaldehyde Formula: C21H16N2O3S2 MolecularWeight: 408.49334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O3S2/c24-13-18-7-4-12-23(18)21-22-20(14-27-21)17-8-10-19(11-9-17)28(25,26)15-16-5-2-1-3-6-16/h1-14H,15H2