1-[5-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-1-phenyl-pyrazol-4-yl]-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine

Systemtic Name: 1-[5-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-1-phenyl-pyrazol-4-yl]-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine Openeye Name: 1-[5-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-1-phenyl-pyrazol-4-yl]-N-[4-(p-tolyl)piperazin-1-yl]methanimine CAS Name: 1-[5-(1,3-benzothiazol-2-ylthio)-3-methyl-1-phenyl-4-pyrazolyl]-N-[4-(4-methylphenyl)-1-piperazinyl]methanimine IUPAC Name: 1-[5-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-1-phenylpyrazol-4-yl]-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine Traditional Name: (E)-[5-(1,3-benzothiazol-2-ylthio)-3-methyl-1-phenyl-pyrazol-4-yl]methylene-[4-(p-tolyl)piperazino]amine Formula: C29H28N6S2 MolecularWeight: 524.70282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCN(CC2)N=CC3=C(N(N=C3C)C4=CC=CC=C4)SC5=NC6=CC=CC=C6S5

Isomeric SMILES

CC1=CC=C(C=C1)N2CCN(CC2)/N=C/C3=C(N(N=C3C)C4=CC=CC=C4)SC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C29H28N6S2/c1-21-12-14-23(15-13-21)33-16-18-34(19-17-33)30-20-25-22(2)32-35(24-8-4-3-5-9-24)28(25)37-29-31-26-10-6-7-11-27(26)36-29/h3-15,20H,16-19H2,1-2H3/b30-20+