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

Systemtic Name: 5-[(4-ethylphenyl)amino]-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(4-ethylanilino)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(4-ethylanilino)-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(4-ethylanilino)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(4-ethylanilino)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Formula: C20H26N6S2+2 MolecularWeight: 414.59064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H24N6S2/c1-2-16-6-8-17(9-7-16)22-19-23-26(20(27)28-19)15-24-11-13-25(14-12-24)18-5-3-4-10-21-18/h3-10H,2,11-15H2,1H3,(H,22,23)/p+2