5-cyclohexyl-2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 5-cyclohexyl-2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-cyclohexyl-2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-cyclohexyl-2-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 5-cyclohexyl-2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-cyclohexyl-2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C18H33N5S+2 MolecularWeight: 351.55312

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3CCCCC3)CC=C

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3CCCCC3)CC=C

InChI

InChI=1S/C18H31N5S/c1-3-10-22-17(16-8-6-5-7-9-16)19-23(18(22)24)15-21-13-11-20(4-2)12-14-21/h3,16H,1,4-15H2,2H3/p+2