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

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-2-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-methyl-3-nitrophenyl)-2-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-2-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-methyl-3-nitro-phenyl)-2-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CSC2=NNC(=N2)COC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CSC2=NNC(=N2)COC3=CC=CC=C3

InChI

InChI=1S/C18H17N5O4S/c1-12-14(8-5-9-15(12)23(25)26)19-17(24)11-28-18-20-16(21-22-18)10-27-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,19,24)(H,20,21,22)