4-[3-(2-azanyl-1,3-thiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one hydrochloride

Systemtic Name: 4-[3-(2-azanyl-1,3-thiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one hydrochloride Openeye Name: 4-[3-(2-aminothiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one hydrochloride CAS Name: 4-[3-(2-amino-4-thiazolyl)-2,5-dimethyl-1-pyrrolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone hydrochloride IUPAC Name: 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethylpyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one hydrochloride Traditional Name: 4-[3-(2-aminothiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one hydrochloride Formula: C20H22ClN5OS MolecularWeight: 415.93958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C4=CSC(=N4)N.Cl

Isomeric SMILES

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C4=CSC(=N4)N.Cl

InChI

InChI=1S/C20H21N5OS.ClH/c1-12-10-16(17-11-27-20(21)22-17)13(2)24(12)18-14(3)23(4)25(19(18)26)15-8-6-5-7-9-15;/h5-11H,1-4H3,(H2,21,22);1H