1-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone

Systemtic Name: 1-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Openeye Name: 1-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-yl]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone CAS Name: 1-[4-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-1-piperazinyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone IUPAC Name: 1-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Traditional Name: 1-[4-(5-morpholinosulfonyl-2-pyridyl)piperazino]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone Formula: C20H29N7O4S2 MolecularWeight: 495.61876

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)N2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)N2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H29N7O4S2/c1-2-3-18-22-23-20(32)27(18)15-19(28)25-8-6-24(7-9-25)17-5-4-16(14-21-17)33(29,30)26-10-12-31-13-11-26/h4-5,14H,2-3,6-13,15H2,1H3,(H,23,32)