3-[(3-bromophenyl)methylsulfanyl]-5-(4-nitrophenyl)-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-nitrophenyl)-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[(3-bromophenyl)methylsulfanyl]-5-(4-nitrophenyl)-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-(4-nitrophenyl)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(3-bromophenyl)methylsulfanyl]-5-(4-nitrophenyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-[(3-bromobenzyl)thio]-5-(4-nitrophenyl)-1,2,4-triazole Formula: C22H17BrN4O2S MolecularWeight: 481.36498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC(=CC=C3)Br)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC(=CC=C3)Br)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17BrN4O2S/c23-19-8-4-7-17(13-19)15-30-22-25-24-21(18-9-11-20(12-10-18)27(28)29)26(22)14-16-5-2-1-3-6-16/h1-13H,14-15H2