4-butoxy-N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide

Systemtic Name: 4-butoxy-N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide Openeye Name: 4-butoxy-N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide CAS Name: 4-butoxy-N-[5-(cyanomethylthio)-1,3,4-thiadiazol-2-yl]benzenesulfonamide IUPAC Name: 4-butoxy-N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide Traditional Name: 4-butoxy-N-[5-(cyanomethylthio)-1,3,4-thiadiazol-2-yl]benzenesulfonamide Formula: C14H16N4O3S3 MolecularWeight: 384.49684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)SCC#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)SCC#N

InChI

InChI=1S/C14H16N4O3S3/c1-2-3-9-21-11-4-6-12(7-5-11)24(19,20)18-13-16-17-14(23-13)22-10-8-15/h4-7H,2-3,9-10H2,1H3,(H,16,18)