2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-5-propyl-pyrazol-3-olate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-5-propyl-pyrazol-3-olate Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(p-tolyl)carbonimidoyl]-5-propyl-pyrazol-3-olate CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(4-methylphenyl)iminoethyl]-5-propyl-3-pyrazololate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-5-propylpyrazol-3-olate Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(p-tolyl)carbonimidoyl]-5-propyl-pyrazol-3-olate Formula: C22H21N4OS- MolecularWeight: 389.49334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=NC2=CC=C(C=C2)C)C)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC1=NN(C(=C1C(=NC2=CC=C(C=C2)C)C)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N4OS/c1-4-7-18-20(15(3)23-16-12-10-14(2)11-13-16)21(27)26(25-18)22-24-17-8-5-6-9-19(17)28-22/h5-6,8-13,27H,4,7H2,1-3H3/p-1