5-(2,4-dichlorophenyl)-4-prop-2-enyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(2,4-dichlorophenyl)-4-prop-2-enyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-(2,4-dichlorophenyl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2,4-dichlorophenyl)-4-prop-2-enyl-2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(2,4-dichlorophenyl)-4-prop-2-enyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-(2,4-dichlorophenyl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C21H24Cl2N6S+2 MolecularWeight: 463.42646

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C=CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H22Cl2N6S/c1-2-9-28-20(17-7-6-16(22)14-18(17)23)25-29(21(28)30)15-26-10-12-27(13-11-26)19-5-3-4-8-24-19/h2-8,14H,1,9-13,15H2/p+2