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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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