3-bromanyl-N-[1-[5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]benzamide

Systemtic Name: 3-bromanyl-N-[1-[5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]benzamide Openeye Name: 3-bromo-N-[1-[5-(m-tolylmethylsulfanyl)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]benzamide CAS Name: 3-bromo-N-[1-[5-[(3-methylphenyl)methylthio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]benzamide IUPAC Name: 3-bromo-N-[1-[5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]benzamide Traditional Name: 3-bromo-N-[1-[5-[(3-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]benzamide Formula: C31H26BrN5O3S MolecularWeight: 628.53884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])C(CC4=CC=CC=C4)NC(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])C(CC4=CC=CC=C4)NC(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C31H26BrN5O3S/c1-21-7-5-10-23(17-21)20-41-31-35-34-29(36(31)26-13-15-27(16-14-26)37(39)40)28(18-22-8-3-2-4-9-22)33-30(38)24-11-6-12-25(32)19-24/h2-17,19,28H,18,20H2,1H3,(H,33,38)