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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(3-nitrophenyl)-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[(4-bromophenyl)methylsulfanyl]-5-(3-nitrophenyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(3-nitrophenyl)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(4-bromophenyl)methylsulfanyl]-5-(3-nitrophenyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-[(4-bromobenzyl)thio]-5-(3-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=C(C=C3)Br)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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