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

Systemtic Name: 4-[(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)-(1,2,4-triazol-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(2-oxo-3H-1,3-benzoxazol-6-yl)-(1,2,4-triazol-1-yl)methyl]benzonitrile CAS Name: 4-[(2-oxo-3H-1,3-benzoxazol-6-yl)-(1,2,4-triazol-1-yl)methyl]benzonitrile IUPAC Name: 4-[(2-oxo-3H-1,3-benzoxazol-6-yl)-(1,2,4-triazol-1-yl)methyl]benzonitrile Traditional Name: 4-[(2-keto-3H-1,3-benzoxazol-6-yl)-(1,2,4-triazol-1-yl)methyl]benzonitrile Formula: C17H11N5O2 MolecularWeight: 317.30154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(C2=CC3=C(C=C2)NC(=O)O3)N4C=NC=N4

Isomeric SMILES

C1=CC(=CC=C1C#N)C(C2=CC3=C(C=C2)NC(=O)O3)N4C=NC=N4

InChI

InChI=1S/C17H11N5O2/c18-8-11-1-3-12(4-2-11)16(22-10-19-9-20-22)13-5-6-14-15(7-13)24-17(23)21-14/h1-7,9-10,16H,(H,21,23)