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

Systemtic Name: N-[(3-bromophenyl)methyl]-3-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine Openeye Name: N-[(3-bromophenyl)methyl]-3-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine CAS Name: N-[(3-bromophenyl)methyl]-3-[(4-fluorophenyl)methylthio]-5-methyl-1,2,4-triazol-4-amine IUPAC Name: N-[(3-bromophenyl)methyl]-3-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine Traditional Name: (3-bromobenzyl)-[3-[(4-fluorobenzyl)thio]-5-methyl-1,2,4-triazol-4-yl]amine Formula: C17H16BrFN4S MolecularWeight: 407.303143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NCC2=CC(=CC=C2)Br)SCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN=C(N1NCC2=CC(=CC=C2)Br)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H16BrFN4S/c1-12-21-22-17(24-11-13-5-7-16(19)8-6-13)23(12)20-10-14-3-2-4-15(18)9-14/h2-9,20H,10-11H2,1H3