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

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C13H12BrN5O3S MolecularWeight: 398.23508

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1CC1C2=NC(=NN2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C13H12BrN5O3S/c14-9-5-8(19(21)22)3-4-10(9)15-11(20)6-23-13-16-12(17-18-13)7-1-2-7/h3-5,7H,1-2,6H2,(H,15,20)(H,16,17,18)