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

Systemtic Name: 3-[(5-methyl-4-nitroso-2-propan-2-yl-phenoxy)methyl]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-benzyl-3-[(2-isopropyl-5-methyl-4-nitroso-phenoxy)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[(5-methyl-4-nitroso-2-propan-2-ylphenoxy)methyl]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-benzyl-3-[(5-methyl-4-nitroso-2-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzyl-3-[(2-isopropyl-5-methyl-4-nitroso-phenoxy)methyl]-1H-1,2,4-triazole-5-thione Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OCC2=NNC(=S)N2CC3=CC=CC=C3)C(C)C)N=O

Isomeric SMILES

CC1=C(C=C(C(=C1)OCC2=NNC(=S)N2CC3=CC=CC=C3)C(C)C)N=O

InChI

InChI=1S/C20H22N4O2S/c1-13(2)16-10-17(23-25)14(3)9-18(16)26-12-19-21-22-20(27)24(19)11-15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3,(H,22,27)