3-[4-methyl-1-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-methyl-1-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-methyl-1-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-methyl-1-[(4-methylsulfonyl-1-piperazinyl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-methyl-1-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[1-[(4-mesylpiperazino)methyl]-4-methyl-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C12H22N6O3S2 MolecularWeight: 362.47148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C)CCC(=O)N

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C)CCC(=O)N

InChI

InChI=1S/C12H22N6O3S2/c1-15-11(4-3-10(13)19)14-18(12(15)22)9-16-5-7-17(8-6-16)23(2,20)21/h3-9H2,1-2H3,(H2,13,19)