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

Systemtic Name: 4-(furan-2-ylmethyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-propan-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-(2-furylmethyl)-5-isopropyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-(2-furanylmethyl)-2-[(4-methylsulfonyl-1-piperazinyl)methyl]-5-propan-2-yl-1,2,4-triazole-3-thione IUPAC Name: 4-(furan-2-ylmethyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-propan-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-(2-furfuryl)-5-isopropyl-2-[(4-mesylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C16H25N5O3S2 MolecularWeight: 399.5314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=S)N1CC2=CC=CO2)CN3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C)C1=NN(C(=S)N1CC2=CC=CO2)CN3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C16H25N5O3S2/c1-13(2)15-17-21(16(25)20(15)11-14-5-4-10-24-14)12-18-6-8-19(9-7-18)26(3,22)23/h4-5,10,13H,6-9,11-12H2,1-3H3