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

Systemtic Name: 5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine Openeye Name: N-benzyl-5-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine IUPAC Name: N-benzyl-5-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: benzyl-[5-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-1,3,4-thiadiazol-2-yl]amine Formula: C17H14BrN3O2S2 MolecularWeight: 436.34596

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=NN=C(S3)NCC4=CC=CC=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NN=C(S3)NCC4=CC=CC=C4)Br

InChI

InChI=1S/C17H14BrN3O2S2/c18-13-7-15-14(22-10-23-15)6-12(13)9-24-17-21-20-16(25-17)19-8-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,19,20)