N-[(4-chlorophenyl)-diphenoxyphosphoryl-methyl]-5-ethyl-1,3,4-thiadiazol-2-amine

Systemtic Name: N-[(4-chlorophenyl)-diphenoxyphosphoryl-methyl]-5-ethyl-1,3,4-thiadiazol-2-amine Openeye Name: N-[(4-chlorophenyl)-diphenoxyphosphoryl-methyl]-5-ethyl-1,3,4-thiadiazol-2-amine CAS Name: N-[(4-chlorophenyl)-diphenoxyphosphorylmethyl]-5-ethyl-1,3,4-thiadiazol-2-amine IUPAC Name: N-[(4-chlorophenyl)-diphenoxyphosphorylmethyl]-5-ethyl-1,3,4-thiadiazol-2-amine Traditional Name: [(4-chlorophenyl)-diphenoxyphosphoryl-methyl]-(5-ethyl-1,3,4-thiadiazol-2-yl)amine Formula: C23H21ClN3O3PS MolecularWeight: 485.922901

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(C2=CC=C(C=C2)Cl)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCC1=NN=C(S1)NC(C2=CC=C(C=C2)Cl)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H21ClN3O3PS/c1-2-21-26-27-23(32-21)25-22(17-13-15-18(24)16-14-17)31(28,29-19-9-5-3-6-10-19)30-20-11-7-4-8-12-20/h3-16,22H,2H2,1H3,(H,25,27)