4-(2-methoxyphenyl)-3-[(5-methyl-4-nitroso-2-propan-2-yl-phenoxy)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2-methoxyphenyl)-3-[(5-methyl-4-nitroso-2-propan-2-yl-phenoxy)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(2-isopropyl-5-methyl-4-nitroso-phenoxy)methyl]-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(2-methoxyphenyl)-3-[(5-methyl-4-nitroso-2-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2-methoxyphenyl)-3-[(5-methyl-4-nitroso-2-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(2-isopropyl-5-methyl-4-nitroso-phenoxy)methyl]-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C20H22N4O3S MolecularWeight: 398.47868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OCC2=NNC(=S)N2C3=CC=CC=C3OC)C(C)C)N=O

Isomeric SMILES

CC1=C(C=C(C(=C1)OCC2=NNC(=S)N2C3=CC=CC=C3OC)C(C)C)N=O

InChI

InChI=1S/C20H22N4O3S/c1-12(2)14-10-15(23-25)13(3)9-18(14)27-11-19-21-22-20(28)24(19)16-7-5-6-8-17(16)26-4/h5-10,12H,11H2,1-4H3,(H,22,28)