2-[4-oxidanylidene-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[4-oxidanylidene-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-3-yl]ethanenitrile Openeye Name: 2-[4-oxo-2-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-3-yl]acetonitrile CAS Name: 2-[4-oxo-2-[[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]-3-quinazolinyl]acetonitrile IUPAC Name: 2-[4-oxo-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]quinazolin-3-yl]acetonitrile Formula: C22H20N6O2S2 MolecularWeight: 464.5632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCC3=NC4=CC=CC=C4C(=O)N3CC#N)C5=CC=CS5

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SCC3=NC4=CC=CC=C4C(=O)N3CC#N)C5=CC=CS5

InChI

InChI=1S/C22H20N6O2S2/c23-9-10-27-19(24-17-7-2-1-6-16(17)21(27)29)14-32-22-26-25-20(18-8-4-12-31-18)28(22)13-15-5-3-11-30-15/h1-2,4,6-8,12,15H,3,5,10-11,13-14H2