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

Systemtic Name: 3-[4-(2-methylpropyl)-1-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-isobutyl-1-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-(2-methylpropyl)-1-[(4-methylsulfonyl-1-piperazinyl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-(2-methylpropyl)-1-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-isobutyl-1-[(4-mesylpiperazino)methyl]-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C15H28N6O3S2 MolecularWeight: 404.55122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H28N6O3S2/c1-12(2)10-20-14(5-4-13(16)22)17-21(15(20)25)11-18-6-8-19(9-7-18)26(3,23)24/h12H,4-11H2,1-3H3,(H2,16,22)