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

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C13H15N5O4S MolecularWeight: 337.3543

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CN1C=NN=C1SCCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C13H15N5O4S/c1-17-8-14-16-13(17)23-6-5-12(19)15-10-7-9(18(20)21)3-4-11(10)22-2/h3-4,7-8H,5-6H2,1-2H3,(H,15,19)