[(S)-[(phenylmethyl)amino]-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]phosphonic acid

Systemtic Name: [(S)-[(phenylmethyl)amino]-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]phosphonic acid Openeye Name: [(S)-(benzylamino)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]phosphonic acid CAS Name: [(S)-[(phenylmethyl)amino]-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]phosphonic acid IUPAC Name: [(S)-(benzylamino)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]phosphonic acid Traditional Name: [(S)-(benzylamino)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]phosphonic acid Formula: C21H20N3O3PS MolecularWeight: 425.440561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CN[C@H](C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)P(=O)(O)O

InChI

InChI=1S/C21H20N3O3PS/c25-28(26,27)21(22-14-16-8-3-1-4-9-16)18-15-24(17-10-5-2-6-11-17)23-20(18)19-12-7-13-29-19/h1-13,15,21-22H,14H2,(H2,25,26,27)/t21-/m0/s1