2-[[4-[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[1-oxo-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetyl]piperazino]methyl]-1H-quinazolin-4-one Formula: C20H25N7O2S MolecularWeight: 427.5232

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)N2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)N2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H25N7O2S/c1-2-5-17-23-24-20(30)27(17)13-18(28)26-10-8-25(9-11-26)12-16-21-15-7-4-3-6-14(15)19(29)22-16/h3-4,6-7H,2,5,8-13H2,1H3,(H,24,30)(H,21,22,29)