2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(C-methyl-N-phenethyl-carbonimidoyl)-4H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(C-methyl-N-phenethyl-carbonimidoyl)-4H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(C-methyl-N-phenethyl-carbonimidoyl)-4H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-[[(4-chlorophenyl)thio]methyl]-4-(1-phenethyliminoethyl)-4H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(C-methyl-N-phenethylcarbonimidoyl)-4H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-[[(4-chlorophenyl)thio]methyl]-4-(C-methyl-N-phenethyl-carbonimidoyl)-2-pyrazolin-3-one Formula: C27H23ClN4OS2 MolecularWeight: 519.08072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCCC1=CC=CC=C1)C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)CSC5=CC=C(C=C5)Cl

Isomeric SMILES

CC(=NCCC1=CC=CC=C1)C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)CSC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H23ClN4OS2/c1-18(29-16-15-19-7-3-2-4-8-19)25-23(17-34-21-13-11-20(28)12-14-21)31-32(26(25)33)27-30-22-9-5-6-10-24(22)35-27/h2-14,25H,15-17H2,1H3