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

Systemtic Name: 2-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C18H18N6OS MolecularWeight: 366.44012

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=O)N2CC#N)C4CC4

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=O)N2CC#N)C4CC4

InChI

InChI=1S/C18H18N6OS/c1-2-23-16(12-7-8-12)21-22-18(23)26-11-15-20-14-6-4-3-5-13(14)17(25)24(15)10-9-19/h3-6,12H,2,7-8,10-11H2,1H3