3-oxidanylidene-2-quinazolin-2-yl-4-(4-thiophen-2-yloxyphenoxy)pentanenitrile

Systemtic Name: 3-oxidanylidene-2-quinazolin-2-yl-4-(4-thiophen-2-yloxyphenoxy)pentanenitrile Openeye Name: 3-oxo-2-quinazolin-2-yl-4-[4-(2-thienyloxy)phenoxy]pentanenitrile CAS Name: 3-oxo-2-(2-quinazolinyl)-4-(4-thiophen-2-yloxyphenoxy)pentanenitrile IUPAC Name: 3-oxo-2-quinazolin-2-yl-4-(4-thiophen-2-yloxyphenoxy)pentanenitrile Traditional Name: 3-keto-2-quinazolin-2-yl-4-[4-(2-thienyloxy)phenoxy]valeronitrile Formula: C23H17N3O3S MolecularWeight: 415.46438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(C#N)C1=NC2=CC=CC=C2C=N1)OC3=CC=C(C=C3)OC4=CC=CS4

Isomeric SMILES

CC(C(=O)C(C#N)C1=NC2=CC=CC=C2C=N1)OC3=CC=C(C=C3)OC4=CC=CS4

InChI

InChI=1S/C23H17N3O3S/c1-15(28-17-8-10-18(11-9-17)29-21-7-4-12-30-21)22(27)19(13-24)23-25-14-16-5-2-3-6-20(16)26-23/h2-12,14-15,19H,1H3