5-(4-cyano-3-methylsulfanyl-1,2-oxazol-5-yl)-N-(phenylmethyl)thiophene-2-sulfonamide

Systemtic Name: 5-(4-cyano-3-methylsulfanyl-1,2-oxazol-5-yl)-N-(phenylmethyl)thiophene-2-sulfonamide Openeye Name: N-benzyl-5-(4-cyano-3-methylsulfanyl-isoxazol-5-yl)thiophene-2-sulfonamide CAS Name: 5-[4-cyano-3-(methylthio)-5-isoxazolyl]-N-(phenylmethyl)-2-thiophenesulfonamide IUPAC Name: N-benzyl-5-(4-cyano-3-methylsulfanyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide Traditional Name: N-benzyl-5-[4-cyano-3-(methylthio)isoxazol-5-yl]thiophene-2-sulfonamide Formula: C16H13N3O3S3 MolecularWeight: 391.48772

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NOC(=C1C#N)C2=CC=C(S2)S(=O)(=O)NCC3=CC=CC=C3

Isomeric SMILES

CSC1=NOC(=C1C#N)C2=CC=C(S2)S(=O)(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C16H13N3O3S3/c1-23-16-12(9-17)15(22-19-16)13-7-8-14(24-13)25(20,21)18-10-11-5-3-2-4-6-11/h2-8,18H,10H2,1H3