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

Systemtic Name: (E)-3-azanyl-2-[2-(4-phenylazanylquinazolin-2-yl)sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(4-anilinoquinazolin-2-yl)sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(4-anilino-2-quinazolinyl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(4-anilinoquinazolin-2-yl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(4-anilinoquinazolin-2-yl)thio]acetyl]but-2-enenitrile Formula: C20H17N5OS MolecularWeight: 375.44688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC=CC=C3)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC=CC=C3)/N

InChI

InChI=1S/C20H17N5OS/c1-13(22)16(11-21)18(26)12-27-20-24-17-10-6-5-9-15(17)19(25-20)23-14-7-3-2-4-8-14/h2-10H,12,22H2,1H3,(H,23,24,25)/b16-13+