(E)-3-azanyl-2-[2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-[(4-oxo-1H-quinazolin-2-yl)thio]ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(4-keto-1H-quinazolin-2-yl)thio]acetyl]but-2-enenitrile Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC(=O)C2=CC=CC=C2N1)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC(=O)C2=CC=CC=C2N1)/N

InChI

InChI=1S/C14H12N4O2S/c1-8(16)10(6-15)12(19)7-21-14-17-11-5-3-2-4-9(11)13(20)18-14/h2-5H,7,16H2,1H3,(H,17,18,20)/b10-8+