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

Systemtic Name: 1-[4-[5-chloranyl-2-(phenylmethylsulfanyl)phenyl]-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde Openeye Name: 1-[4-(2-benzylsulfanyl-5-chloro-phenyl)thiazol-2-yl]pyrrole-2-carbaldehyde CAS Name: 1-[4-[5-chloro-2-(phenylmethylthio)phenyl]-2-thiazolyl]-2-pyrrolecarboxaldehyde IUPAC Name: 1-[4-(2-benzylsulfanyl-5-chlorophenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde Traditional Name: 1-[4-[2-(benzylthio)-5-chloro-phenyl]thiazol-2-yl]pyrrole-2-carbaldehyde Formula: C21H15ClN2OS2 MolecularWeight: 410.9396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=C(C=C2)Cl)C3=CSC(=N3)N4C=CC=C4C=O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=C(C=C2)Cl)C3=CSC(=N3)N4C=CC=C4C=O

InChI

InChI=1S/C21H15ClN2OS2/c22-16-8-9-20(26-13-15-5-2-1-3-6-15)18(11-16)19-14-27-21(23-19)24-10-4-7-17(24)12-25/h1-12,14H,13H2