1-[(4-bromophenyl)methyl]-N-[(4-carbamimidoylphenyl)methyl]-5-methyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(4-carbamimidoylphenyl)methyl]-5-methyl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(4-carbamimidoylphenyl)methyl]-5-methyl-triazole-4-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(4-carbamimidoylphenyl)methyl]-5-methyl-4-triazolecarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(4-carbamimidoylphenyl)methyl]-5-methyltriazole-4-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-(4-bromobenzyl)-5-methyl-triazole-4-carboxamide Formula: C19H19BrN6O MolecularWeight: 427.29776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1CC2=CC=C(C=C2)Br)C(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=C(N=NN1CC2=CC=C(C=C2)Br)C(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H19BrN6O/c1-12-17(24-25-26(12)11-14-4-8-16(20)9-5-14)19(27)23-10-13-2-6-15(7-3-13)18(21)22/h2-9H,10-11H2,1H3,(H3,21,22)(H,23,27)