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

Systemtic Name: N-[3-[3-(2-cyano-4-nitro-phenyl)sulfanyl-5-methyl-1,2,4-triazol-4-yl]phenyl]ethanamide Openeye Name: N-[3-[3-(2-cyano-4-nitro-phenyl)sulfanyl-5-methyl-1,2,4-triazol-4-yl]phenyl]acetamide CAS Name: N-[3-[3-[(2-cyano-4-nitrophenyl)thio]-5-methyl-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: N-[3-[3-(2-cyano-4-nitrophenyl)sulfanyl-5-methyl-1,2,4-triazol-4-yl]phenyl]acetamide Traditional Name: N-[3-[3-[(2-cyano-4-nitro-phenyl)thio]-5-methyl-1,2,4-triazol-4-yl]phenyl]acetamide Formula: C18H14N6O3S MolecularWeight: 394.40716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC(=CC=C2)NC(=O)C)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=NN=C(N1C2=CC(=CC=C2)NC(=O)C)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H14N6O3S/c1-11-21-22-18(23(11)15-5-3-4-14(9-15)20-12(2)25)28-17-7-6-16(24(26)27)8-13(17)10-19/h3-9H,1-2H3,(H,20,25)