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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OCC2=NN=C(S2)NC3=CC(=CC=C3)OC)C(C)C)N=O

Isomeric SMILES

CC1=C(C=C(C(=C1)OCC2=NN=C(S2)NC3=CC(=CC=C3)OC)C(C)C)N=O

InChI

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