5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-[2-(2-thienyl)ethyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-1,3,4-thiadiazol-2-yl]-[2-(2-thienyl)ethyl]amine Formula: C16H14BrN3O2S3 MolecularWeight: 456.40026

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=NN=C(S3)NCCC4=CC=CS4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NN=C(S3)NCCC4=CC=CS4)Br

InChI

InChI=1S/C16H14BrN3O2S3/c17-12-7-14-13(21-9-22-14)6-10(12)8-24-16-20-19-15(25-16)18-4-3-11-2-1-5-23-11/h1-2,5-7H,3-4,8-9H2,(H,18,19)