6-methylsulfonyl-2-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzothiazole

Systemtic Name: 6-methylsulfonyl-2-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzothiazole Openeye Name: 2-[(5-benzyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-methylsulfonyl-1,3-benzothiazole CAS Name: 6-methylsulfonyl-2-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]thio]-1,3-benzothiazole IUPAC Name: 2-[(5-benzyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-methylsulfonyl-1,3-benzothiazole Traditional Name: 2-[(5-benzyl-1,3,4-thiadiazol-2-yl)thio]-6-mesyl-1,3-benzothiazole Formula: C17H13N3O2S4 MolecularWeight: 419.56402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC3=NN=C(S3)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC3=NN=C(S3)CC4=CC=CC=C4

InChI

InChI=1S/C17H13N3O2S4/c1-26(21,22)12-7-8-13-14(10-12)23-16(18-13)25-17-20-19-15(24-17)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3