1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol; ethanedioic acid

Systemtic Name: 1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol; ethanedioic acid Openeye Name: 1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-(2-thienylmethoxy)propan-2-ol; oxalic acid CAS Name: 1-[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-3-(thiophen-2-ylmethoxy)-2-propanol; oxalic acid IUPAC Name: 1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol; oxalic acid Traditional Name: 1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-(2-thenyloxy)propan-2-ol; oxalic acid Formula: C18H27N3O6S MolecularWeight: 413.48848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNCC(COCC2=CC=CS2)O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=NN1CCCNCC(COCC2=CC=CS2)O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25N3O2S.C2H2O4/c1-13-9-14(2)19(18-13)7-4-6-17-10-15(20)11-21-12-16-5-3-8-22-16;3-1(4)2(5)6/h3,5,8-9,15,17,20H,4,6-7,10-12H2,1-2H3;(H,3,4)(H,5,6)