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

Systemtic Name: 4-(4-chlorophenyl)-3-methyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-(4-chlorophenyl)-3-methyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-(4-chlorophenyl)-3-methyl-5-[(3-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-(4-chlorophenyl)-3-methyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-(4-chlorophenyl)-3-methyl-5-[(3-nitrobenzyl)thio]-1,2,4-triazole Formula: C16H13ClN4O2S MolecularWeight: 360.81802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)Cl)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)Cl)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN4O2S/c1-11-18-19-16(20(11)14-7-5-13(17)6-8-14)24-10-12-3-2-4-15(9-12)21(22)23/h2-9H,10H2,1H3