5-[(3-bromophenyl)methylsulfanyl]-N-butyl-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(3-bromophenyl)methylsulfanyl]-N-butyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(3-bromophenyl)methylsulfanyl]-N-butyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[(3-bromophenyl)methylthio]-N-butyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(3-bromophenyl)methylsulfanyl]-N-butyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(3-bromobenzyl)thio]-1,3,4-thiadiazol-2-yl]-butyl-amine Formula: C13H16BrN3S2 MolecularWeight: 358.32024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SCC2=CC(=CC=C2)Br

Isomeric SMILES

CCCCNC1=NN=C(S1)SCC2=CC(=CC=C2)Br

InChI

InChI=1S/C13H16BrN3S2/c1-2-3-7-15-12-16-17-13(19-12)18-9-10-5-4-6-11(14)8-10/h4-6,8H,2-3,7,9H2,1H3,(H,15,16)