3-[(4-chlorophenyl)methylsulfanyl]-5-(2-nitrophenyl)-1H-1,2,4-triazole

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(2-nitrophenyl)-1H-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(2-nitrophenyl)-1H-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-5-(2-nitrophenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(2-nitrophenyl)-1H-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-5-(2-nitrophenyl)-1H-1,2,4-triazole Formula: C15H11ClN4O2S MolecularWeight: 346.79144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H11ClN4O2S/c16-11-7-5-10(6-8-11)9-23-15-17-14(18-19-15)12-3-1-2-4-13(12)20(21)22/h1-8H,9H2,(H,17,18,19)