2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-[(3-methylbutylamino)methylidene]pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-[(3-methylbutylamino)methylidene]pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(isopentylamino)methylene]-5-(4-methoxyphenyl)pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-[(3-methylbutylamino)methylidene]-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-[(3-methylbutylamino)methylidene]pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(isoamylamino)methylene]-5-(4-methoxyphenyl)-2-pyrazolin-3-one Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)CCNC=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H24N4O2S/c1-15(2)12-13-24-14-18-21(16-8-10-17(29-3)11-9-16)26-27(22(18)28)23-25-19-6-4-5-7-20(19)30-23/h4-11,14-15,24H,12-13H2,1-3H3