(E)-3-azanyl-2-[2-(2-methylquinazolin-4-yl)sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(2-methylquinazolin-4-yl)sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(2-methyl-4-quinazolinyl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(2-methylquinazolin-4-yl)thio]acetyl]but-2-enenitrile Formula: C15H14N4OS MolecularWeight: 298.36286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C15H14N4OS/c1-9(17)12(7-16)14(20)8-21-15-11-5-3-4-6-13(11)18-10(2)19-15/h3-6H,8,17H2,1-2H3/b12-9+