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

Systemtic Name: 5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-methyl-2-[(4-methylsulfonyl-1-piperazinyl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[(4-mesylpiperazino)methyl]-5-methyl-1,2,4-triazole-3-thione Formula: C12H21N5O2S2 MolecularWeight: 331.45744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC=C)CN2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=NN(C(=S)N1CC=C)CN2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C12H21N5O2S2/c1-4-5-16-11(2)13-17(12(16)20)10-14-6-8-15(9-7-14)21(3,18)19/h4H,1,5-10H2,2-3H3