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

Systemtic Name: 3-bromanyl-N-[1-[5-[(2-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: 3-bromo-N-[1-[4-(4-nitrophenyl)-5-(o-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide CAS Name: 3-bromo-N-[1-[5-[(2-methylphenyl)methylthio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 3-bromo-N-[1-[5-[(2-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: 3-bromo-N-[1-[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C25H22BrN5O3S MolecularWeight: 552.44288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])C(C)NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])C(C)NC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C25H22BrN5O3S/c1-16-6-3-4-7-19(16)15-35-25-29-28-23(30(25)21-10-12-22(13-11-21)31(33)34)17(2)27-24(32)18-8-5-9-20(26)14-18/h3-14,17H,15H2,1-2H3,(H,27,32)