[[(1-phenylpyrazol-4-yl)methylamino]-thiophen-2-yl-methyl]phosphonic acid; propan-2-ol

Systemtic Name: [[(1-phenylpyrazol-4-yl)methylamino]-thiophen-2-yl-methyl]phosphonic acid; propan-2-ol Openeye Name: [[(1-phenylpyrazol-4-yl)methylamino]-(2-thienyl)methyl]phosphonic acid; propan-2-ol CAS Name: [[(1-phenyl-4-pyrazolyl)methylamino]-thiophen-2-ylmethyl]phosphonic acid; 2-propanol IUPAC Name: [[(1-phenylpyrazol-4-yl)methylamino]-thiophen-2-ylmethyl]phosphonic acid; propan-2-ol Traditional Name: [[(1-phenylpyrazol-4-yl)methylamino]-(2-thienyl)methyl]phosphonic acid; propan-2-ol Formula: C18H24N3O4PS MolecularWeight: 409.439621

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)O.C1=CC=C(C=C1)N2C=C(C=N2)CNC(C3=CC=CS3)P(=O)(O)O

Isomeric SMILES

CC(C)O.C1=CC=C(C=C1)N2C=C(C=N2)CNC(C3=CC=CS3)P(=O)(O)O

InChI

InChI=1S/C15H16N3O3PS.C3H8O/c19-22(20,21)15(14-7-4-8-23-14)16-9-12-10-17-18(11-12)13-5-2-1-3-6-13;1-3(2)4/h1-8,10-11,15-16H,9H2,(H2,19,20,21);3-4H,1-2H3