N-[3-(diethylaminomethyl)-4-methoxy-phenyl]-3-(trichloromethyl)-1,2,4-thiadiazol-5-amine

Systemtic Name: N-[3-(diethylaminomethyl)-4-methoxy-phenyl]-3-(trichloromethyl)-1,2,4-thiadiazol-5-amine Openeye Name: N-[3-(diethylaminomethyl)-4-methoxy-phenyl]-3-(trichloromethyl)-1,2,4-thiadiazol-5-amine CAS Name: N-[3-(diethylaminomethyl)-4-methoxyphenyl]-3-(trichloromethyl)-1,2,4-thiadiazol-5-amine IUPAC Name: N-[3-(diethylaminomethyl)-4-methoxyphenyl]-3-(trichloromethyl)-1,2,4-thiadiazol-5-amine Traditional Name: diethyl-[2-methoxy-5-[[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]amino]benzyl]amine Formula: C15H19Cl3N4OS MolecularWeight: 409.76156

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C=CC(=C1)NC2=NC(=NS2)C(Cl)(Cl)Cl)OC

Isomeric SMILES

CCN(CC)CC1=C(C=CC(=C1)NC2=NC(=NS2)C(Cl)(Cl)Cl)OC

InChI

InChI=1S/C15H19Cl3N4OS/c1-4-22(5-2)9-10-8-11(6-7-12(10)23-3)19-14-20-13(21-24-14)15(16,17)18/h6-8H,4-5,9H2,1-3H3,(H,19,20,21)