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

Systemtic Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(pentylamino)ethylidene]-5-propyl-pyrazol-3-one Openeye Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(pentylamino)ethylidene]-5-propyl-pyrazol-3-one CAS Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(pentylamino)ethylidene]-5-propyl-3-pyrazolone IUPAC Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(pentylamino)ethylidene]-5-propylpyrazol-3-one Traditional Name: (4Z)-4-[1-(amylamino)ethylidene]-2-(1,3-benzothiazol-2-yl)-5-propyl-2-pyrazolin-3-one Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CCC)C

Isomeric SMILES

CCCCCN/C(=C\1/C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CCC)/C

InChI

InChI=1S/C20H26N4OS/c1-4-6-9-13-21-14(3)18-16(10-5-2)23-24(19(18)25)20-22-15-11-7-8-12-17(15)26-20/h7-8,11-12,21H,4-6,9-10,13H2,1-3H3/b18-14-