2-[4-oxidanylidene-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-3-yl]ethanamide

Systemtic Name: 2-[4-oxidanylidene-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-3-yl]ethanamide Openeye Name: 2-[4-oxo-2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-3-yl]acetamide CAS Name: 2-[4-oxo-2-[[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-3-quinazolinyl]acetamide IUPAC Name: 2-[4-oxo-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-3-yl]acetamide Traditional Name: 2-[4-keto-2-[[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]methyl]quinazolin-3-yl]acetamide Formula: C24H25N7O2S MolecularWeight: 475.566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC4=NC5=CC=CC=C5C(=O)N4CC(=O)N

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC4=NC5=CC=CC=C5C(=O)N4CC(=O)N

InChI

InChI=1S/C24H25N7O2S/c25-20(32)15-30-21(26-19-12-6-5-11-18(19)22(30)33)16-34-24-28-27-23(29-13-7-2-8-14-29)31(24)17-9-3-1-4-10-17/h1,3-6,9-12H,2,7-8,13-16H2,(H2,25,32)