1-[5-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-1-phenyl-pyrazol-4-yl]-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine

Systemtic Name: 1-[5-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-1-phenyl-pyrazol-4-yl]-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Openeye Name: 1-[5-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-1-phenyl-pyrazol-4-yl]-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine CAS Name: 1-[5-(1,3-benzothiazol-2-ylthio)-3-methyl-1-phenyl-4-pyrazolyl]-N-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanimine IUPAC Name: 1-[5-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-1-phenylpyrazol-4-yl]-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Traditional Name: (Z)-[5-(1,3-benzothiazol-2-ylthio)-3-methyl-1-phenyl-pyrazol-4-yl]methylene-(4-pyridin-1-ium-2-ylpiperazino)amine Formula: C27H26N7S2+ MolecularWeight: 512.67224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NN2CCN(CC2)C3=CC=CC=[NH+]3)SC4=NC5=CC=CC=C5S4)C6=CC=CC=C6

Isomeric SMILES

CC1=NN(C(=C1/C=N\N2CCN(CC2)C3=CC=CC=[NH+]3)SC4=NC5=CC=CC=C5S4)C6=CC=CC=C6

InChI

InChI=1S/C27H25N7S2/c1-20-22(19-29-33-17-15-32(16-18-33)25-13-7-8-14-28-25)26(34(31-20)21-9-3-2-4-10-21)36-27-30-23-11-5-6-12-24(23)35-27/h2-14,19H,15-18H2,1H3/p+1/b29-19-