3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(3,4-dichlorophenyl)methylthio]-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3,4-dichlorobenzyl)thio]-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole Formula: C21H14Cl2N4O2S MolecularWeight: 457.33246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=C(C=C3)Cl)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=C(C=C3)Cl)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14Cl2N4O2S/c22-18-11-6-14(12-19(18)23)13-30-21-25-24-20(26(21)16-4-2-1-3-5-16)15-7-9-17(10-8-15)27(28)29/h1-12H,13H2