5-bromanyl-3-nitro-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine

Systemtic Name: 5-bromanyl-3-nitro-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine Openeye Name: 5-bromo-3-nitro-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine CAS Name: 5-bromo-3-nitro-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]pyridine IUPAC Name: 5-bromo-3-nitro-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine Traditional Name: 5-bromo-3-nitro-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]pyridine Formula: C13H8BrN5O2S MolecularWeight: 378.20392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SC3=NC=C(C=C3[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SC3=NC=C(C=C3[N+](=O)[O-])Br

InChI

InChI=1S/C13H8BrN5O2S/c14-9-6-10(19(20)21)12(15-7-9)22-13-16-11(17-18-13)8-4-2-1-3-5-8/h1-7H,(H,16,17,18)