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

Systemtic Name: 3-[2-(pyrazin-2-ylamino)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: 3-[2-(pyrazin-2-ylamino)-5-(1,2,4-triazol-1-yl)thiazol-4-yl]benzonitrile CAS Name: 3-[2-(2-pyrazinylamino)-5-(1,2,4-triazol-1-yl)-4-thiazolyl]benzonitrile IUPAC Name: 3-[2-(pyrazin-2-ylamino)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-4-yl]benzonitrile Traditional Name: 3-[2-(pyrazin-2-ylamino)-5-(1,2,4-triazol-1-yl)thiazol-4-yl]benzonitrile Formula: C16H10N8S MolecularWeight: 346.3692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10N8S/c17-7-11-2-1-3-12(6-11)14-15(24-10-19-9-21-24)25-16(23-14)22-13-8-18-4-5-20-13/h1-6,8-10H,(H,20,22,23)