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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(phenethylamino)ethylidene]pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(phenethylamino)ethylidene]pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(phenethylamino)ethylidene]-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(phenethylamino)ethylidene]pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(phenethylamino)ethylidene]-2-pyrazolin-3-one Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NCCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN(C(=O)C1=C(C)NCCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N4OS/c1-14(22-13-12-16-8-4-3-5-9-16)19-15(2)24-25(20(19)26)21-23-17-10-6-7-11-18(17)27-21/h3-11,22H,12-13H2,1-2H3