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

Systemtic Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(cyclohexylamino)ethylidene]-5-propyl-pyrazol-3-one Openeye Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(cyclohexylamino)ethylidene]-5-propyl-pyrazol-3-one CAS Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(cyclohexylamino)ethylidene]-5-propyl-3-pyrazolone IUPAC Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(cyclohexylamino)ethylidene]-5-propylpyrazol-3-one Traditional Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(cyclohexylamino)ethylidene]-5-propyl-2-pyrazolin-3-one Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NC2CCCCC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4OS/c1-3-9-17-19(14(2)22-15-10-5-4-6-11-15)20(26)25(24-17)21-23-16-12-7-8-13-18(16)27-21/h7-8,12-13,15,22H,3-6,9-11H2,1-2H3/b19-14-