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

Systemtic Name: 3-(5-bromanyl-3-nitro-pyridin-2-yl)sulfanyl-4-prop-2-enyl-1H-1,2,4-triazol-5-one Openeye Name: 4-allyl-3-[(5-bromo-3-nitro-2-pyridyl)sulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[(5-bromo-3-nitro-2-pyridinyl)thio]-4-prop-2-enyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-(5-bromo-3-nitropyridin-2-yl)sulfanyl-4-prop-2-enyl-1H-1,2,4-triazol-5-one Traditional Name: 4-allyl-3-[(5-bromo-3-nitro-2-pyridyl)thio]-1H-1,2,4-triazol-5-one Formula: C10H8BrN5O3S MolecularWeight: 358.17122

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)NN=C1SC2=NC=C(C=C2[N+](=O)[O-])Br

Isomeric SMILES

C=CCN1C(=O)NN=C1SC2=NC=C(C=C2[N+](=O)[O-])Br

InChI

InChI=1S/C10H8BrN5O3S/c1-2-3-15-9(17)13-14-10(15)20-8-7(16(18)19)4-6(11)5-12-8/h2,4-5H,1,3H2,(H,13,17)