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

Systemtic Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[5-[(4-bromophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[5-[(4-bromobenzyl)thio]-1,3,4-thiadiazol-2-yl]-piperonylamide Formula: C17H12BrN3O3S2 MolecularWeight: 450.32948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrN3O3S2/c18-12-4-1-10(2-5-12)8-25-17-21-20-16(26-17)19-15(22)11-3-6-13-14(7-11)24-9-23-13/h1-7H,8-9H2,(H,19,20,22)