N-(2-bromanyl-4-methyl-phenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H16BrN5O3S MolecularWeight: 462.32034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C18H16BrN5O3S/c1-11-3-8-15(14(19)9-11)20-16(25)10-28-18-22-21-17(23(18)2)12-4-6-13(7-5-12)24(26)27/h3-9H,10H2,1-2H3,(H,20,25)