2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)propanamide

Systemtic Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)propanamide Openeye Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)propanamide CAS Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)propanamide IUPAC Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)propanamide Traditional Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)propionamide Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NNC(=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NNC(=N2)C3=CC=C(C=C3)OC

InChI

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