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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-[(phenylmethyl)amino]ethylidene]pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(benzylamino)ethylidene]-5-methyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-[(phenylmethyl)amino]ethylidene]-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(benzylamino)ethylidene]-5-methylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(benzylamino)ethylidene]-5-methyl-2-pyrazolin-3-one Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN(C(=O)C1=C(C)NCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N4OS/c1-13(21-12-15-8-4-3-5-9-15)18-14(2)23-24(19(18)25)20-22-16-10-6-7-11-17(16)26-20/h3-11,21H,12H2,1-2H3