5-[(4-methylphenyl)methylsulfanyl]-4-(phenylsulfonyl)-2-thiophen-2-yl-1,3-oxazole

Systemtic Name: 5-[(4-methylphenyl)methylsulfanyl]-4-(phenylsulfonyl)-2-thiophen-2-yl-1,3-oxazole Openeye Name: 4-(benzenesulfonyl)-5-(p-tolylmethylsulfanyl)-2-(2-thienyl)oxazole CAS Name: 4-(benzenesulfonyl)-5-[(4-methylphenyl)methylthio]-2-thiophen-2-yloxazole IUPAC Name: 4-(benzenesulfonyl)-5-[(4-methylphenyl)methylsulfanyl]-2-thiophen-2-yl-1,3-oxazole Traditional Name: 4-besyl-5-[(4-methylbenzyl)thio]-2-(2-thienyl)oxazole Formula: C21H17NO3S3 MolecularWeight: 427.55958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=C(N=C(O2)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=C(N=C(O2)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H17NO3S3/c1-15-9-11-16(12-10-15)14-27-21-20(22-19(25-21)18-8-5-13-26-18)28(23,24)17-6-3-2-4-7-17/h2-13H,14H2,1H3