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

Systemtic Name: 2-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C19H16N6OS2 MolecularWeight: 408.49994

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=O)N2CC#N)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=O)N2CC#N)C4=CC=CS4

InChI

InChI=1S/C19H16N6OS2/c1-2-24-17(15-8-5-11-27-15)22-23-19(24)28-12-16-21-14-7-4-3-6-13(14)18(26)25(16)10-9-20/h3-8,11H,2,10,12H2,1H3