4-cyclohexyl-3-methyl-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-cyclohexyl-3-methyl-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-methyl-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-cyclohexyl-3-methyl-5-[(2-methyl-3-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-methyl-5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-methyl-5-[(2-methyl-3-nitro-benzyl)thio]-1,2,4-triazole Formula: C17H22N4O2S MolecularWeight: 346.44718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2C3CCCCC3)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2C3CCCCC3)C

InChI

InChI=1S/C17H22N4O2S/c1-12-14(7-6-10-16(12)21(22)23)11-24-17-19-18-13(2)20(17)15-8-4-3-5-9-15/h6-7,10,15H,3-5,8-9,11H2,1-2H3