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

Systemtic Name: 2-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C19H18N6OS MolecularWeight: 378.45082

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC4=NC5=CC=CC=C5C(=O)N4CC#N

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC4=NC5=CC=CC=C5C(=O)N4CC#N

InChI

InChI=1S/C19H18N6OS/c20-9-10-24-16(21-15-4-2-1-3-14(15)18(24)26)11-27-19-23-22-17(12-5-6-12)25(19)13-7-8-13/h1-4,12-13H,5-8,10-11H2