2-[2-[(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C22H17N5O2S MolecularWeight: 415.46768

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=O)N4CC#N

Isomeric SMILES

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=O)N4CC#N

InChI

InChI=1S/C22H17N5O2S/c23-11-12-26-19(24-17-7-3-1-5-15(17)20(26)28)13-30-22-25-18-8-4-2-6-16(18)21(29)27(22)14-9-10-14/h1-8,14H,9-10,12-13H2