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

Systemtic Name: N-[4-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]ethanamide Openeye Name: N-[4-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide CAS Name: N-[4-[5-[(2-methoxy-5-nitrophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide IUPAC Name: N-[4-[5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide Traditional Name: N-[4-[5-[(2-methoxy-5-nitro-benzyl)thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H19N5O4S/c1-12(25)20-15-6-4-13(5-7-15)18-21-22-19(23(18)2)29-11-14-10-16(24(26)27)8-9-17(14)28-3/h4-10H,11H2,1-3H3,(H,20,25)