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

Systemtic Name: 5-[(4-methoxyphenyl)amino]-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(4-methoxyanilino)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(4-methoxyanilino)-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(4-methoxyanilino)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(p-anisidino)-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Formula: C18H22N7OS2+ MolecularWeight: 416.54358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H21N7OS2/c1-26-15-5-3-14(4-6-15)21-17-22-25(18(27)28-17)13-23-9-11-24(12-10-23)16-19-7-2-8-20-16/h2-8H,9-13H2,1H3,(H,21,22)/p+1