3-[2-[(3-cyanophenyl)amino]-5-(6-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]benzenecarbonitrile

Systemtic Name: 3-[2-[(3-cyanophenyl)amino]-5-(6-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: 3-[2-(3-cyanoanilino)-5-(6-methylpyrimidin-4-yl)thiazol-4-yl]benzonitrile CAS Name: 3-[2-(3-cyanoanilino)-5-(6-methyl-4-pyrimidinyl)-4-thiazolyl]benzonitrile IUPAC Name: 3-[2-(3-cyanoanilino)-5-(6-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]benzonitrile Traditional Name: 3-[2-(3-cyanoanilino)-5-(6-methylpyrimidin-4-yl)thiazol-4-yl]benzonitrile Formula: C22H14N6S MolecularWeight: 394.45176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=NC(=C1)C2=C(N=C(S2)NC3=CC=CC(=C3)C#N)C4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=NC=NC(=C1)C2=C(N=C(S2)NC3=CC=CC(=C3)C#N)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H14N6S/c1-14-8-19(26-13-25-14)21-20(17-6-2-4-15(9-17)11-23)28-22(29-21)27-18-7-3-5-16(10-18)12-24/h2-10,13H,1H3,(H,27,28)