5-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-[2-(2-thienyl)ethyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1,3,4-thiadiazol-2-yl]-[2-(2-thienyl)ethyl]amine Formula: C17H16BrN3O2S3 MolecularWeight: 470.42684

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NN=C(S3)NCCC4=CC=CS4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NN=C(S3)NCCC4=CC=CS4

InChI

InChI=1S/C17H16BrN3O2S3/c18-13-9-15-14(22-5-6-23-15)8-11(13)10-25-17-21-20-16(26-17)19-4-3-12-2-1-7-24-12/h1-2,7-9H,3-6,10H2,(H,19,20)