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

Systemtic Name: 3-[2-(pyridin-4-ylamino)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: 3-[2-(4-pyridylamino)-5-(1,2,4-triazol-1-yl)thiazol-4-yl]benzonitrile CAS Name: 3-[2-(pyridin-4-ylamino)-5-(1,2,4-triazol-1-yl)-4-thiazolyl]benzonitrile IUPAC Name: 3-[2-(pyridin-4-ylamino)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-4-yl]benzonitrile Traditional Name: 3-[2-(4-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(=CC(=C1)C2=C(SC(=N2)NC3=CC=NC=C3)N4C=NC=N4)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=C(SC(=N2)NC3=CC=NC=C3)N4C=NC=N4)C#N

InChI

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