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

Systemtic Name: 2-[2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]quinazolin-3-yl]acetonitrile Formula: C20H16N6O2S MolecularWeight: 404.44504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=NN=C2SCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

COC1=CC=CC(=C1)N2C=NN=C2SCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C20H16N6O2S/c1-28-15-6-4-5-14(11-15)26-13-22-24-20(26)29-12-18-23-17-8-3-2-7-16(17)19(27)25(18)10-9-21/h2-8,11,13H,10,12H2,1H3