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

Systemtic Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(cycloheptylamino)ethylidene]-5-methyl-pyrazol-3-one Openeye Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(cycloheptylamino)ethylidene]-5-methyl-pyrazol-3-one CAS Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(cycloheptylamino)ethylidene]-5-methyl-3-pyrazolone IUPAC Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(cycloheptylamino)ethylidene]-5-methylpyrazol-3-one Traditional Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(cycloheptylamino)ethylidene]-5-methyl-2-pyrazolin-3-one Formula: C20H24N4OS MolecularWeight: 368.49576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NC2CCCCCC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C(/C)\NC2CCCCCC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H24N4OS/c1-13(21-15-9-5-3-4-6-10-15)18-14(2)23-24(19(18)25)20-22-16-11-7-8-12-17(16)26-20/h7-8,11-12,15,21H,3-6,9-10H2,1-2H3/b18-13-