4-ethyl-5-(furan-2-yl)-2-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-ethyl-5-(furan-2-yl)-2-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-5-(2-furyl)-2-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-ethyl-5-(2-furanyl)-2-[(4-methylsulfonyl-1-piperazin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-5-(furan-2-yl)-2-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-5-(2-furyl)-2-[(4-mesylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C14H22N5O3S2+ MolecularWeight: 372.48618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C)C3=CC=CO3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C)C3=CC=CO3

InChI

InChI=1S/C14H21N5O3S2/c1-3-18-13(12-5-4-10-22-12)15-19(14(18)23)11-16-6-8-17(9-7-16)24(2,20)21/h4-5,10H,3,6-9,11H2,1-2H3/p+1