4-methyl-3-[(4-methylphenyl)methylsulfanyl]-5-[(4-nitrophenoxy)methyl]-1,2,4-triazole

Systemtic Name: 4-methyl-3-[(4-methylphenyl)methylsulfanyl]-5-[(4-nitrophenoxy)methyl]-1,2,4-triazole Openeye Name: 4-methyl-3-[(4-nitrophenoxy)methyl]-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-methyl-3-[(4-methylphenyl)methylthio]-5-[(4-nitrophenoxy)methyl]-1,2,4-triazole IUPAC Name: 4-methyl-3-[(4-methylphenyl)methylsulfanyl]-5-[(4-nitrophenoxy)methyl]-1,2,4-triazole Traditional Name: 4-methyl-3-[(4-methylbenzyl)thio]-5-[(4-nitrophenoxy)methyl]-1,2,4-triazole Formula: C18H18N4O3S MolecularWeight: 370.42552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2C)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2C)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3S/c1-13-3-5-14(6-4-13)12-26-18-20-19-17(21(18)2)11-25-16-9-7-15(8-10-16)22(23)24/h3-10H,11-12H2,1-2H3