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

Systemtic Name: 1-[5-[(3-bromophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-tert-butylphenyl)urea Openeye Name: 1-[5-[(3-bromophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-tert-butylphenyl)urea CAS Name: 1-[5-[(3-bromophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-tert-butylphenyl)urea IUPAC Name: 1-[5-[(3-bromophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-tert-butylphenyl)urea Traditional Name: 1-[5-(3-bromobenzyl)-1,3,4-thiadiazol-2-yl]-3-(4-tert-butylphenyl)urea Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)CC3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H21BrN4OS/c1-20(2,3)14-7-9-16(10-8-14)22-18(26)23-19-25-24-17(27-19)12-13-5-4-6-15(21)11-13/h4-11H,12H2,1-3H3,(H2,22,23,25,26)