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

Systemtic Name: (E)-3-azanyl-2-[2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]acetyl]but-2-enenitrile Formula: C21H18N4O3S MolecularWeight: 406.45762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)OC)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)OC)/N

InChI

InChI=1S/C21H18N4O3S/c1-13(23)17(11-22)19(26)12-29-21-24-18-9-4-3-8-16(18)20(27)25(21)14-6-5-7-15(10-14)28-2/h3-10H,12,23H2,1-2H3/b17-13+