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

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[[5-methyl-4-(m-tolyl)-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(=CC=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)C

InChI

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