N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-2-(4-nitrophenoxy)ethanamide Openeye Name: N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-2-(4-nitrophenoxy)acetamide CAS Name: N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-2-(4-nitrophenoxy)acetamide Traditional Name: N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]-2-(4-nitrophenoxy)acetamide Formula: C12H13N5O4S MolecularWeight: 323.32772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])SC

Isomeric SMILES

CC1=NN=C(N1NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])SC

InChI

InChI=1S/C12H13N5O4S/c1-8-13-14-12(22-2)16(8)15-11(18)7-21-10-5-3-9(4-6-10)17(19)20/h3-6H,7H2,1-2H3,(H,15,18)