4-[(5-bromanyl-2-methoxy-phenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(5-bromanyl-2-methoxy-phenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(5-bromo-2-methoxy-phenyl)methylamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(5-bromo-2-methoxyphenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(5-bromo-2-methoxyphenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(5-bromo-2-methoxy-benzyl)amino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C15H14BrN5OS MolecularWeight: 392.27356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNN2C(=NNC2=S)C3=CC=NC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNN2C(=NNC2=S)C3=CC=NC=C3

InChI

InChI=1S/C15H14BrN5OS/c1-22-13-3-2-12(16)8-11(13)9-18-21-14(19-20-15(21)23)10-4-6-17-7-5-10/h2-8,18H,9H2,1H3,(H,20,23)