4-(2,4-dimethylphenyl)-3-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-(2,4-dimethylphenyl)-3-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole Openeye Name: 4-(2,4-dimethylphenyl)-3-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole CAS Name: 4-(2,4-dimethylphenyl)-3-[2-(3-nitrophenoxy)ethylthio]-1,2,4-triazole IUPAC Name: 4-(2,4-dimethylphenyl)-3-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole Traditional Name: 4-(2,4-dimethylphenyl)-3-[2-(3-nitrophenoxy)ethylthio]-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)N2C=NN=C2SCCOC3=CC=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=NN=C2SCCOC3=CC=CC(=C3)[N+](=O)[O-])C

InChI

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