2-(1,3-benzothiazol-2-yl)-4-[1-[(2-chlorophenyl)methylamino]ethylidene]-5-methyl-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[1-[(2-chlorophenyl)methylamino]ethylidene]-5-methyl-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[1-[(2-chlorophenyl)methylamino]ethylidene]-5-methyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[1-[(2-chlorophenyl)methylamino]ethylidene]-5-methyl-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[1-[(2-chlorophenyl)methylamino]ethylidene]-5-methylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[1-[(2-chlorobenzyl)amino]ethylidene]-5-methyl-2-pyrazolin-3-one Formula: C20H17ClN4OS MolecularWeight: 396.89318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NCC2=CC=CC=C2Cl)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN(C(=O)C1=C(C)NCC2=CC=CC=C2Cl)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H17ClN4OS/c1-12(22-11-14-7-3-4-8-15(14)21)18-13(2)24-25(19(18)26)20-23-16-9-5-6-10-17(16)27-20/h3-10,22H,11H2,1-2H3