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

Systemtic Name: 3-(3-bromophenyl)-5-[(2,4-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(3-bromophenyl)-5-[(2,4-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(3-bromophenyl)-5-[(2,4-dimethylphenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(3-bromophenyl)-5-[(2,4-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(3-bromophenyl)-5-[(2,4-dimethylbenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C17H17BrN4S MolecularWeight: 389.31268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC2=NN=C(N2N)C3=CC(=CC=C3)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=NN=C(N2N)C3=CC(=CC=C3)Br)C

InChI

InChI=1S/C17H17BrN4S/c1-11-6-7-14(12(2)8-11)10-23-17-21-20-16(22(17)19)13-4-3-5-15(18)9-13/h3-9H,10,19H2,1-2H3