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

Systemtic Name: 2-[2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C22H20N6OS MolecularWeight: 416.4988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=O)N2CC#N)C4=CC=CC=C4C

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=O)N2CC#N)C4=CC=CC=C4C

InChI

InChI=1S/C22H20N6OS/c1-3-27-20(16-9-5-4-8-15(16)2)25-26-22(27)30-14-19-24-18-11-7-6-10-17(18)21(29)28(19)13-12-23/h4-11H,3,13-14H2,1-2H3