3-(5-bromanyl-3-nitro-pyridin-2-yl)sulfanyl-4-phenyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-(5-bromanyl-3-nitro-pyridin-2-yl)sulfanyl-4-phenyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(5-bromo-3-nitro-2-pyridyl)sulfanyl]-4-phenyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(5-bromo-3-nitro-2-pyridinyl)thio]-4-phenyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-(5-bromo-3-nitropyridin-2-yl)sulfanyl-4-phenyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(5-bromo-3-nitro-2-pyridyl)thio]-4-phenyl-1H-1,2,4-triazol-5-one Formula: C13H8BrN5O3S MolecularWeight: 394.20332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)NN=C2SC3=NC=C(C=C3[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)NN=C2SC3=NC=C(C=C3[N+](=O)[O-])Br

InChI

InChI=1S/C13H8BrN5O3S/c14-8-6-10(19(21)22)11(15-7-8)23-13-17-16-12(20)18(13)9-4-2-1-3-5-9/h1-7H,(H,16,20)