5-[(phenylmethyl)sulfonylmethyl]-3H-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[(phenylmethyl)sulfonylmethyl]-3H-1,3,4-thiadiazole-2-thione Openeye Name: 5-(benzylsulfonylmethyl)-3H-1,3,4-thiadiazole-2-thione CAS Name: 5-[(phenylmethyl)sulfonylmethyl]-3H-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(benzylsulfonylmethyl)-3H-1,3,4-thiadiazole-2-thione Traditional Name: 5-(benzylsulfonylmethyl)-3H-1,3,4-thiadiazole-2-thione Formula: C10H10N2O2S3 MolecularWeight: 286.3936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CC2=NNC(=S)S2

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CC2=NNC(=S)S2

InChI

InChI=1S/C10H10N2O2S3/c13-17(14,6-8-4-2-1-3-5-8)7-9-11-12-10(15)16-9/h1-5H,6-7H2,(H,12,15)