3-[(3-bromophenyl)methylsulfanyl]-N-[(E)-1-pyridin-2-ylethylideneamino]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-N-[(E)-1-pyridin-2-ylethylideneamino]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-N-[(E)-1-(2-pyridyl)ethylideneamino]-1H-1,2,4-triazol-5-amine CAS Name: 3-[(3-bromophenyl)methylthio]-N-[(E)-1-(2-pyridinyl)ethylideneamino]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-N-[(E)-1-pyridin-2-ylethylideneamino]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(3-bromobenzyl)thio]-1H-1,2,4-triazol-5-yl]-[(E)-1-(2-pyridyl)ethylideneamino]amine Formula: C16H15BrN6S MolecularWeight: 403.2995

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC(=NN1)SCC2=CC(=CC=C2)Br)C3=CC=CC=N3

Isomeric SMILES

C/C(=N\NC1=NC(=NN1)SCC2=CC(=CC=C2)Br)/C3=CC=CC=N3

InChI

InChI=1S/C16H15BrN6S/c1-11(14-7-2-3-8-18-14)20-21-15-19-16(23-22-15)24-10-12-5-4-6-13(17)9-12/h2-9H,10H2,1H3,(H2,19,21,22,23)/b20-11+