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

Systemtic Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(cyclohexylamino)ethylidene]-5-methyl-pyrazol-3-one Openeye Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(cyclohexylamino)ethylidene]-5-methyl-pyrazol-3-one CAS Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(cyclohexylamino)ethylidene]-5-methyl-3-pyrazolone IUPAC Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(cyclohexylamino)ethylidene]-5-methylpyrazol-3-one Traditional Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(cyclohexylamino)ethylidene]-5-methyl-2-pyrazolin-3-one Formula: C19H22N4OS MolecularWeight: 354.46918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NC2CCCCC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C(/C)\NC2CCCCC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H22N4OS/c1-12(20-14-8-4-3-5-9-14)17-13(2)22-23(18(17)24)19-21-15-10-6-7-11-16(15)25-19/h6-7,10-11,14,20H,3-5,8-9H2,1-2H3/b17-12-