2-[(4-cyanophenyl)sulfonyl-methyl-amino]-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]ethanamide

Systemtic Name: 2-[(4-cyanophenyl)sulfonyl-methyl-amino]-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetamide CAS Name: 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetamide Formula: C19H17N5O3S3 MolecularWeight: 459.56498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=NN=C(S1)SCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CN(CC(=O)NC1=NN=C(S1)SCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H17N5O3S3/c1-24(30(26,27)16-9-7-14(11-20)8-10-16)12-17(25)21-18-22-23-19(29-18)28-13-15-5-3-2-4-6-15/h2-10H,12-13H2,1H3,(H,21,22,25)