N-[2-methyl-1-[5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]propyl]benzamide

Systemtic Name: N-[2-methyl-1-[5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]propyl]benzamide Openeye Name: N-[1-[4-allyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-methyl-propyl]benzamide CAS Name: N-[2-methyl-1-[5-[(4-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]propyl]benzamide IUPAC Name: N-[2-methyl-1-[5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]propyl]benzamide Traditional Name: N-[1-[4-allyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]-2-methyl-propyl]benzamide Formula: C23H25N5O3S MolecularWeight: 451.5413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NN=C(N1CC=C)SCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C1=NN=C(N1CC=C)SCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H25N5O3S/c1-4-14-27-21(20(16(2)3)24-22(29)18-8-6-5-7-9-18)25-26-23(27)32-15-17-10-12-19(13-11-17)28(30)31/h4-13,16,20H,1,14-15H2,2-3H3,(H,24,29)