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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(3-imidazol-1-ylpropylamino)ethylidene]-5-methyl-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(3-imidazol-1-ylpropylamino)ethylidene]-5-methyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[1-[3-(1-imidazolyl)propylamino]ethylidene]-5-methyl-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(3-imidazol-1-ylpropylamino)ethylidene]-5-methylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(3-imidazol-1-ylpropylamino)ethylidene]-5-methyl-2-pyrazolin-3-one Formula: C19H20N6OS MolecularWeight: 380.4667

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NCCCN2C=CN=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN(C(=O)C1=C(C)NCCCN2C=CN=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H20N6OS/c1-13(21-8-5-10-24-11-9-20-12-24)17-14(2)23-25(18(17)26)19-22-15-6-3-4-7-16(15)27-19/h3-4,6-7,9,11-12,21H,5,8,10H2,1-2H3