N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-2-(4-nitrophenoxy)acetamide CAS Name: N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-2-(4-nitrophenoxy)acetamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-2-(4-nitrophenoxy)acetamide Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C18H17N5O4S/c1-13-19-20-18(28-12-14-5-3-2-4-6-14)22(13)21-17(24)11-27-16-9-7-15(8-10-16)23(25)26/h2-10H,11-12H2,1H3,(H,21,24)