N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-piperonylamide Formula: C17H13N3O3S2 MolecularWeight: 371.43342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

InChI

InChI=1S/C17H13N3O3S2/c21-15(12-6-7-13-14(8-12)23-10-22-13)18-16-19-20-17(25-16)24-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19,21)