N-[(S)-bis(2-methylpropoxy)phosphoryl-(4-fluorophenyl)methyl]-2-ethyl-1,2,3,4-tetrazol-5-amine

Systemtic Name: N-[(S)-bis(2-methylpropoxy)phosphoryl-(4-fluorophenyl)methyl]-2-ethyl-1,2,3,4-tetrazol-5-amine Openeye Name: N-[(S)-diisobutoxyphosphoryl-(4-fluorophenyl)methyl]-2-ethyl-tetrazol-5-amine CAS Name: N-[(S)-bis(2-methylpropoxy)phosphoryl-(4-fluorophenyl)methyl]-2-ethyl-5-tetrazolamine IUPAC Name: N-[(S)-bis(2-methylpropoxy)phosphoryl-(4-fluorophenyl)methyl]-2-ethyltetrazol-5-amine Traditional Name: [(S)-diisobutoxyphosphoryl-(4-fluorophenyl)methyl]-(2-ethyltetrazol-5-yl)amine Formula: C18H29FN5O3P MolecularWeight: 413.426724

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Descriptors Computed from Structure

Canonical SMILES:

CCN1N=C(N=N1)NC(C2=CC=C(C=C2)F)P(=O)(OCC(C)C)OCC(C)C

Isomeric SMILES

CCN1N=C(N=N1)N[C@H](C2=CC=C(C=C2)F)P(=O)(OCC(C)C)OCC(C)C

InChI

InChI=1S/C18H29FN5O3P/c1-6-24-22-18(21-23-24)20-17(15-7-9-16(19)10-8-15)28(25,26-11-13(2)3)27-12-14(4)5/h7-10,13-14,17H,6,11-12H2,1-5H3,(H,20,22)/t17-/m0/s1