2-(1,3-benzothiazol-2-yl)-5-methyl-4-(phenylmethyl)-1H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(phenylmethyl)-1H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-benzyl-5-methyl-1H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(phenylmethyl)-1H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-benzyl-5-methyl-1H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-benzyl-5-methyl-3-pyrazolin-3-one Formula: C18H15N3OS MolecularWeight: 321.3962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)CC4=CC=CC=C4

InChI

InChI=1S/C18H15N3OS/c1-12-14(11-13-7-3-2-4-8-13)17(22)21(20-12)18-19-15-9-5-6-10-16(15)23-18/h2-10,20H,11H2,1H3