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

Systemtic Name: N-[3-[3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]ethanamide Openeye Name: N-[3-[3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide CAS Name: N-[3-[3-[(2-methoxy-5-nitrophenyl)methylthio]-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: N-[3-[3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide Traditional Name: N-[3-[3-[(2-methoxy-5-nitro-benzyl)thio]-1,2,4-triazol-4-yl]phenyl]acetamide Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C=NN=C2SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C=NN=C2SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17N5O4S/c1-12(24)20-14-4-3-5-15(9-14)22-11-19-21-18(22)28-10-13-8-16(23(25)26)6-7-17(13)27-2/h3-9,11H,10H2,1-2H3,(H,20,24)