3-[[4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-[[4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-[[4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-yl]amino]benzonitrile Formula: C20H15N7 MolecularWeight: 353.38

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=CC(=CC=C3)CN4C=NC=N4)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=CC(=CC=C3)CN4C=NC=N4)C#N

InChI

InChI=1S/C20H15N7/c21-11-15-3-2-6-18(10-15)25-20-23-8-7-19(26-20)17-5-1-4-16(9-17)12-27-14-22-13-24-27/h1-10,13-14H,12H2,(H,23,25,26)