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

Systemtic Name: 3-(5-bromanyl-3-nitro-pyridin-2-yl)sulfanyl-4-(4-chlorophenyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[(5-bromo-3-nitro-2-pyridyl)sulfanyl]-4-(4-chlorophenyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[(5-bromo-3-nitro-2-pyridinyl)thio]-4-(4-chlorophenyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-(5-bromo-3-nitropyridin-2-yl)sulfanyl-4-(4-chlorophenyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[(5-bromo-3-nitro-2-pyridyl)thio]-4-(4-chlorophenyl)-1H-1,2,4-triazol-5-one Formula: C13H7BrClN5O3S MolecularWeight: 428.64838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)NN=C2SC3=NC=C(C=C3[N+](=O)[O-])Br)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)NN=C2SC3=NC=C(C=C3[N+](=O)[O-])Br)Cl

InChI

InChI=1S/C13H7BrClN5O3S/c14-7-5-10(20(22)23)11(16-6-7)24-13-18-17-12(21)19(13)9-3-1-8(15)2-4-9/h1-6H,(H,17,21)