2-[2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[[4-cyclohexyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C23H22N6O2S MolecularWeight: 446.52478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=O)N3CC#N)C5=CC=CO5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=O)N3CC#N)C5=CC=CO5

InChI

InChI=1S/C23H22N6O2S/c24-12-13-28-20(25-18-10-5-4-9-17(18)22(28)30)15-32-23-27-26-21(19-11-6-14-31-19)29(23)16-7-2-1-3-8-16/h4-6,9-11,14,16H,1-3,7-8,13,15H2