4-[(6-oxidanyl-1,3-benzoxazol-2-yl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(6-oxidanyl-1,3-benzoxazol-2-yl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[(6-hydroxy-1,3-benzoxazol-2-yl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[(6-hydroxy-1,3-benzoxazol-2-yl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[(6-hydroxy-1,3-benzoxazol-2-yl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[(6-hydroxy-1,3-benzoxazol-2-yl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C17H12N6O2 MolecularWeight: 332.31618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(CC2=NC3=C(O2)C=C(C=C3)O)N4C=NN=C4

Isomeric SMILES

C1=CC(=CC=C1C#N)N(CC2=NC3=C(O2)C=C(C=C3)O)N4C=NN=C4

InChI

InChI=1S/C17H12N6O2/c18-8-12-1-3-13(4-2-12)23(22-10-19-20-11-22)9-17-21-15-6-5-14(24)7-16(15)25-17/h1-7,10-11,24H,9H2