2-(1,3-benzothiazol-2-yl)-4-[2-(phenylmethyl)iminoethyl]-5-propyl-pyrazol-3-olate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[2-(phenylmethyl)iminoethyl]-5-propyl-pyrazol-3-olate Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-(2-benzyliminoethyl)-5-propyl-pyrazol-3-olate CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[2-(phenylmethyl)iminoethyl]-5-propyl-3-pyrazololate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-(2-benzyliminoethyl)-5-propylpyrazol-3-olate Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-(2-benzyliminoethyl)-5-propyl-pyrazol-3-olate Formula: C22H21N4OS- MolecularWeight: 389.49334

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1CC=NCC2=CC=CC=C2)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC1=NN(C(=C1CC=NCC2=CC=CC=C2)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N4OS/c1-2-8-18-17(13-14-23-15-16-9-4-3-5-10-16)21(27)26(25-18)22-24-19-11-6-7-12-20(19)28-22/h3-7,9-12,14,27H,2,8,13,15H2,1H3/p-1