3-[2-(pyridin-2-ylamino)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-4-yl]benzenecarbonitrile

Systemtic Name: 3-[2-(pyridin-2-ylamino)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: 3-[2-(2-pyridylamino)-5-(1,2,4-triazol-1-yl)thiazol-4-yl]benzonitrile CAS Name: 3-[2-(2-pyridinylamino)-5-(1,2,4-triazol-1-yl)-4-thiazolyl]benzonitrile IUPAC Name: 3-[2-(pyridin-2-ylamino)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-4-yl]benzonitrile Traditional Name: 3-[2-(2-pyridylamino)-5-(1,2,4-triazol-1-yl)thiazol-4-yl]benzonitrile Formula: C17H11N7S MolecularWeight: 345.38114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NC2=NC(=C(S2)N3C=NC=N3)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=NC(=C1)NC2=NC(=C(S2)N3C=NC=N3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C17H11N7S/c18-9-12-4-3-5-13(8-12)15-16(24-11-19-10-21-24)25-17(23-15)22-14-6-1-2-7-20-14/h1-8,10-11H,(H,20,22,23)