4-cyclopropyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclopropyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-(2-thienylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-(2-thenyl)-1,2,4-triazole-3-thione Formula: C20H26N6S2+2 MolecularWeight: 414.59064

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=[NH+]C=C4)CC5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=[NH+]C=C4)CC5=CC=CS5

InChI

InChI=1S/C20H24N6S2/c27-20-25(15-23-9-11-24(12-10-23)16-5-7-21-8-6-16)22-19(26(20)17-3-4-17)14-18-2-1-13-28-18/h1-2,5-8,13,17H,3-4,9-12,14-15H2/p+2