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

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2-[[5-(m-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-2-[[5-(m-tolyl)-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=CC=CC(=C1)C2=NC(=NN2)SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=NN2)SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17N5O4S/c1-11-4-3-5-12(8-11)17-20-18(22-21-17)28-10-16(24)19-14-9-13(23(25)26)6-7-15(14)27-2/h3-9H,10H2,1-2H3,(H,19,24)(H,20,21,22)