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

Systemtic Name: 4-(3,5-dimethylphenyl)-3-[(5-methyl-4-nitroso-2-propan-2-yl-phenoxy)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3,5-dimethylphenyl)-3-[(2-isopropyl-5-methyl-4-nitroso-phenoxy)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(3,5-dimethylphenyl)-3-[(5-methyl-4-nitroso-2-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3,5-dimethylphenyl)-3-[(5-methyl-4-nitroso-2-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3,5-dimethylphenyl)-3-[(2-isopropyl-5-methyl-4-nitroso-phenoxy)methyl]-1H-1,2,4-triazole-5-thione Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=NNC2=S)COC3=CC(=C(C=C3C(C)C)N=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=NNC2=S)COC3=CC(=C(C=C3C(C)C)N=O)C)C

InChI

InChI=1S/C21H24N4O2S/c1-12(2)17-10-18(24-26)15(5)9-19(17)27-11-20-22-23-21(28)25(20)16-7-13(3)6-14(4)8-16/h6-10,12H,11H2,1-5H3,(H,23,28)