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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NN=C(S2)COC3=CC(=C(C=C3C(C)C)N=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NN=C(S2)COC3=CC(=C(C=C3C(C)C)N=O)C)C

InChI

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