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

Systemtic Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(pentylamino)ethylidene]pyrazol-3-one Openeye Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(pentylamino)ethylidene]pyrazol-3-one CAS Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(pentylamino)ethylidene]-3-pyrazolone IUPAC Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(pentylamino)ethylidene]pyrazol-3-one Traditional Name: (4Z)-4-[1-(amylamino)ethylidene]-2-(1,3-benzothiazol-2-yl)-5-methyl-2-pyrazolin-3-one Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4OS/c1-4-5-8-11-19-12(2)16-13(3)21-22(17(16)23)18-20-14-9-6-7-10-15(14)24-18/h6-7,9-10,19H,4-5,8,11H2,1-3H3/b16-12-