4-ethanoyl-5-methyl-2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-one

Systemtic Name: 4-ethanoyl-5-methyl-2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-one Openeye Name: 4-acetyl-5-methyl-2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-one CAS Name: 4-acetyl-5-methyl-2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-one IUPAC Name: 4-acetyl-5-methyl-2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-one Traditional Name: 4-acetyl-5-methyl-2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-pyrazolin-3-one Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)C(=C(N4)C)C(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)C(=C(N4)C)C(=O)C

InChI

InChI=1S/C20H17N3O2S/c1-11-4-9-16-17(10-11)26-19(21-16)14-5-7-15(8-6-14)23-20(25)18(13(3)24)12(2)22-23/h4-10,22H,1-3H3