4-(1,3-benzothiazol-2-yl)-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C18H15N3OS MolecularWeight: 321.3962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H15N3OS/c1-12-16(17-19-14-10-6-7-11-15(14)23-17)18(22)21(20(12)2)13-8-4-3-5-9-13/h3-11H,1-2H3