(E)-3-azanyl-2-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(3-butyl-4-keto-quinazolin-2-yl)thio]acetyl]but-2-enenitrile Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C18H20N4O2S/c1-3-4-9-22-17(24)13-7-5-6-8-15(13)21-18(22)25-11-16(23)14(10-19)12(2)20/h5-8H,3-4,9,11,20H2,1-2H3/b14-12+