4-[2-oxidanylidene-2-[4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-1-yl]ethyl]-5-propyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-oxidanylidene-2-[4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-1-yl]ethyl]-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-oxo-2-[4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-1-yl]ethyl]-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-[2-oxo-2-[4-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-piperazinyl]ethyl]-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-oxo-2-[4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-1-yl]ethyl]-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-keto-2-[4-[(4-keto-1H-quinazolin-2-yl)methyl]piperazino]ethyl]-5-propyl-1,2,4-triazole-3-thiolate Formula: C20H24N7O2S- MolecularWeight: 426.51526

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC(=O)N2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3)[S-]

Isomeric SMILES

CCCC1=NN=C(N1CC(=O)N2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3)[S-]

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)/p-1