5-[(5-methyl-4-nitroso-2-propan-2-yl-phenoxy)methyl]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OCC2=NN=C(S2)NCC3=CC=CC=C3)C(C)C)N=O

Isomeric SMILES

CC1=C(C=C(C(=C1)OCC2=NN=C(S2)NCC3=CC=CC=C3)C(C)C)N=O

InChI

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