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

Systemtic Name: 5-[(4-bromophenyl)methylsulfanyl]-N-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(4-bromophenyl)methylsulfanyl]-N-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[(4-bromophenyl)methylthio]-N-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(4-bromophenyl)methylsulfanyl]-N-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(4-bromobenzyl)thio]-1,3,4-thiadiazol-2-yl]-(2,3-dimethylphenyl)amine Formula: C17H16BrN3S2 MolecularWeight: 406.36304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NN=C(S2)SCC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NN=C(S2)SCC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C17H16BrN3S2/c1-11-4-3-5-15(12(11)2)19-16-20-21-17(23-16)22-10-13-6-8-14(18)9-7-13/h3-9H,10H2,1-2H3,(H,19,20)