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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(naphthalen-1-ylmethyl)-1H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(1-naphthylmethyl)-1H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(1-naphthalenylmethyl)-1H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(naphthalen-1-ylmethyl)-1H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(1-naphthylmethyl)-3-pyrazolin-3-one Formula: C22H17N3OS MolecularWeight: 371.45488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C22H17N3OS/c1-14-18(13-16-9-6-8-15-7-2-3-10-17(15)16)21(26)25(24-14)22-23-19-11-4-5-12-20(19)27-22/h2-12,24H,13H2,1H3