1-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-butyl-1-methyl-urea

Systemtic Name: 1-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-butyl-1-methyl-urea Openeye Name: 1-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-butyl-1-methyl-urea CAS Name: 1-[5-[(4-bromophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-butyl-1-methylurea IUPAC Name: 1-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-butyl-1-methylurea Traditional Name: 1-[5-[(4-bromobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-butyl-1-methyl-urea Formula: C15H19BrN4OS2 MolecularWeight: 415.37156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(C)C1=NN=C(S1)SCC2=CC=C(C=C2)Br

Isomeric SMILES

CCCCNC(=O)N(C)C1=NN=C(S1)SCC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H19BrN4OS2/c1-3-4-9-17-13(21)20(2)14-18-19-15(23-14)22-10-11-5-7-12(16)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,17,21)