(2S)-N-(2-bromanyl-4-nitro-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(2-bromanyl-4-nitro-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanamide Openeye Name: (2S)-N-(2-bromo-4-nitro-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetamide CAS Name: (2S)-N-(2-bromo-4-nitrophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]-2-phenylacetamide IUPAC Name: (2S)-N-(2-bromo-4-nitrophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide Traditional Name: (2S)-N-(2-bromo-4-nitro-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]-2-phenyl-acetamide Formula: C17H14BrN5O3S MolecularWeight: 448.29376

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CN1C=NN=C1S[C@@H](C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H14BrN5O3S/c1-22-10-19-21-17(22)27-15(11-5-3-2-4-6-11)16(24)20-14-8-7-12(23(25)26)9-13(14)18/h2-10,15H,1H3,(H,20,24)/t15-/m0/s1