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

Systemtic Name: 2-[4-oxidanylidene-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-3-yl]ethanamide Openeye Name: 2-[4-oxo-2-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-3-yl]acetamide CAS Name: 2-[4-oxo-2-[[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-3-quinazolinyl]acetamide IUPAC Name: 2-[4-oxo-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-3-yl]acetamide Traditional Name: 2-[4-keto-2-[[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]methyl]quinazolin-3-yl]acetamide Formula: C25H27N7O2S MolecularWeight: 489.59258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=NC5=CC=CC=C5C(=O)N4CC(=O)N

Isomeric SMILES

C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=NC5=CC=CC=C5C(=O)N4CC(=O)N

InChI

InChI=1S/C25H27N7O2S/c26-21(33)15-31-23(27-20-12-6-5-11-19(20)24(31)34)17-35-25-29-28-22(16-30-13-7-2-8-14-30)32(25)18-9-3-1-4-10-18/h1,3-6,9-12H,2,7-8,13-17H2,(H2,26,33)