2-(cyanomethylsulfanyl)-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Openeye Name: 2-(cyanomethylsulfanyl)-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide CAS Name: 2-(cyanomethylthio)-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-(cyanomethylthio)-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Formula: C16H13N3O4S2 MolecularWeight: 375.42212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC#N

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC#N

InChI

InChI=1S/C16H13N3O4S2/c1-22-12-4-2-11(3-5-12)19-25(20,21)13-6-7-15-14(10-13)18-16(23-15)24-9-8-17/h2-7,10,19H,9H2,1H3