(4S)-2-(1,3-benzothiazol-2-yl)-4-[N-(furan-2-ylmethyl)-C-methyl-carbonimidoyl]-5-methyl-4H-pyrazol-3-one

Systemtic Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-[N-(furan-2-ylmethyl)-C-methyl-carbonimidoyl]-5-methyl-4H-pyrazol-3-one Openeye Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-[N-(2-furylmethyl)-C-methyl-carbonimidoyl]-5-methyl-4H-pyrazol-3-one CAS Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-furanylmethylimino)ethyl]-5-methyl-4H-pyrazol-3-one IUPAC Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-5-methyl-4H-pyrazol-3-one Traditional Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-[N-(2-furfuryl)-C-methyl-carbonimidoyl]-5-methyl-2-pyrazolin-3-one Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(=NCC2=CC=CO2)C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN(C(=O)[C@H]1C(=NCC2=CC=CO2)C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H16N4O2S/c1-11(19-10-13-6-5-9-24-13)16-12(2)21-22(17(16)23)18-20-14-7-3-4-8-15(14)25-18/h3-9,16H,10H2,1-2H3/t16-/m0/s1