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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-[(4-nitrophenyl)methyl]-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-[(4-nitrophenyl)methyl]-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-4-[(4-nitrophenyl)methyl]-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-[(4-nitrophenyl)methyl]-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-4-(4-nitrobenzyl)-1,2,4-triazole Formula: C16H13ClN4O2S MolecularWeight: 360.81802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NN=C2SCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=NN=C2SCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN4O2S/c17-14-5-1-13(2-6-14)10-24-16-19-18-11-20(16)9-12-3-7-15(8-4-12)21(22)23/h1-8,11H,9-10H2