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

Systemtic Name: 1-[4-[5-methyl-2-(phenylmethylsulfanyl)phenyl]-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde Openeye Name: 1-[4-(2-benzylsulfanyl-5-methyl-phenyl)thiazol-2-yl]pyrrole-2-carbaldehyde CAS Name: 1-[4-[5-methyl-2-(phenylmethylthio)phenyl]-2-thiazolyl]-2-pyrrolecarboxaldehyde IUPAC Name: 1-[4-(2-benzylsulfanyl-5-methylphenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde Traditional Name: 1-[4-[2-(benzylthio)-5-methyl-phenyl]thiazol-2-yl]pyrrole-2-carbaldehyde Formula: C22H18N2OS2 MolecularWeight: 390.52112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC=CC=C2)C3=CSC(=N3)N4C=CC=C4C=O

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC=CC=C2)C3=CSC(=N3)N4C=CC=C4C=O

InChI

InChI=1S/C22H18N2OS2/c1-16-9-10-21(26-14-17-6-3-2-4-7-17)19(12-16)20-15-27-22(23-20)24-11-5-8-18(24)13-25/h2-13,15H,14H2,1H3