5-[(4-phenoxyphenyl)amino]-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[(4-phenoxyphenyl)amino]-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(4-phenoxyanilino)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(4-phenoxyanilino)-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(4-phenoxyanilino)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(4-phenoxyanilino)-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Formula: C23H24N7OS2+ MolecularWeight: 478.61296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)SC(=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)SC(=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C23H23N7OS2/c32-23-30(17-28-13-15-29(16-14-28)21-24-11-4-12-25-21)27-22(33-23)26-18-7-9-20(10-8-18)31-19-5-2-1-3-6-19/h1-12H,13-17H2,(H,26,27)/p+1