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

Systemtic Name: (E)-3-azanyl-2-[2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetyl]but-2-enenitrile Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C20H24N4O2S/c1-3-4-5-8-11-24-19(26)15-9-6-7-10-17(15)23-20(24)27-13-18(25)16(12-21)14(2)22/h6-7,9-10H,3-5,8,11,13,22H2,1-2H3/b16-14+