4,5,6-trimethyl-2-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-2-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-2-[2-(3-pyridyl)quinazolin-4-yl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-[[2-(3-pyridinyl)-4-quinazolinyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-2-(2-pyridin-3-ylquinazolin-4-yl)sulfanylpyridine-3-carbonitrile Traditional Name: 4,5,6-trimethyl-2-[[2-(3-pyridyl)quinazolin-4-yl]thio]nicotinonitrile Formula: C22H17N5S MolecularWeight: 383.46888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)C

InChI

InChI=1S/C22H17N5S/c1-13-14(2)18(11-23)22(25-15(13)3)28-21-17-8-4-5-9-19(17)26-20(27-21)16-7-6-10-24-12-16/h4-10,12H,1-3H3