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

Systemtic Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-nitro-phenyl)ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-nitro-phenyl)acetamide CAS Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(4-methyl-2-nitrophenyl)acetamide IUPAC Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-nitrophenyl)acetamide Traditional Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(4-methyl-2-nitro-phenyl)acetamide Formula: C17H14BrN5O3S MolecularWeight: 448.29376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H14BrN5O3S/c1-10-2-7-13(14(8-10)23(25)26)19-15(24)9-27-17-20-16(21-22-17)11-3-5-12(18)6-4-11/h2-8H,9H2,1H3,(H,19,24)(H,20,21,22)