3-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-4,5-bis(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-4,5-bis(phenylmethyl)-1,2,4-triazole Openeye Name: 3,4-dibenzyl-5-[(2-chloro-6-nitro-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(2-chloro-6-nitrophenyl)methylthio]-4,5-bis(phenylmethyl)-1,2,4-triazole IUPAC Name: 3,4-dibenzyl-5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3,4-dibenzyl-5-[(2-chloro-6-nitro-benzyl)thio]-1,2,4-triazole Formula: C23H19ClN4O2S MolecularWeight: 450.94056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2CC3=CC=CC=C3)SCC4=C(C=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2CC3=CC=CC=C3)SCC4=C(C=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H19ClN4O2S/c24-20-12-7-13-21(28(29)30)19(20)16-31-23-26-25-22(14-17-8-3-1-4-9-17)27(23)15-18-10-5-2-6-11-18/h1-13H,14-16H2