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

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(2-methylpropylamino)ethylidene]pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(isobutylamino)ethylidene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(2-methylpropylamino)ethylidene]-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(2-methylpropylamino)ethylidene]pyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(isobutylamino)ethylidene]-5-methyl-2-pyrazolin-3-one Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NCC(C)C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4OS/c1-10(2)9-18-11(3)15-12(4)20-21(16(15)22)17-19-13-7-5-6-8-14(13)23-17/h5-8,10,18H,9H2,1-4H3/b15-11+