4-[(4-bromophenyl)methyl]-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-amine

Systemtic Name: 4-[(4-bromophenyl)methyl]-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-amine Openeye Name: 4-[(4-bromophenyl)methyl]-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-amine CAS Name: 4-[(4-bromophenyl)methyl]-5-[(2-chlorophenyl)methylthio]-1,2,4-triazol-3-amine IUPAC Name: 4-[(4-bromophenyl)methyl]-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-amine Traditional Name: [4-(4-bromobenzyl)-5-[(2-chlorobenzyl)thio]-1,2,4-triazol-3-yl]amine Formula: C16H14BrClN4S MolecularWeight: 409.73116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NN=C(N2CC3=CC=C(C=C3)Br)N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NN=C(N2CC3=CC=C(C=C3)Br)N)Cl

InChI

InChI=1S/C16H14BrClN4S/c17-13-7-5-11(6-8-13)9-22-15(19)20-21-16(22)23-10-12-3-1-2-4-14(12)18/h1-8H,9-10H2,(H2,19,20)