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

Systemtic Name: 5-(furan-2-yl)-4-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(2-furyl)-4-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2-furanyl)-4-methyl-2-[(4-methylsulfonyl-1-piperazinyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(furan-2-yl)-4-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(2-furyl)-2-[(4-mesylpiperazino)methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C13H19N5O3S2 MolecularWeight: 357.45166

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C)C3=CC=CO3

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C)C3=CC=CO3

InChI

InChI=1S/C13H19N5O3S2/c1-15-12(11-4-3-9-21-11)14-18(13(15)22)10-16-5-7-17(8-6-16)23(2,19)20/h3-4,9H,5-8,10H2,1-2H3