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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OCC2=NNC(=S)N2C3=CC=C(C=C3)OC)C(C)C)N=O

Isomeric SMILES

CC1=C(C=C(C(=C1)OCC2=NNC(=S)N2C3=CC=C(C=C3)OC)C(C)C)N=O

InChI

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