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

Systemtic Name: 4-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)-(1,2,4-triazol-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-(1,2,4-triazol-1-yl)methyl]benzonitrile CAS Name: 4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-(1,2,4-triazol-1-yl)methyl]benzonitrile IUPAC Name: 4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-(1,2,4-triazol-1-yl)methyl]benzonitrile Traditional Name: 4-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)-(1,2,4-triazol-1-yl)methyl]benzonitrile Formula: C18H13N5O2 MolecularWeight: 331.32812

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(C3=CC=C(C=C3)C#N)N4C=NC=N4)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(C3=CC=C(C=C3)C#N)N4C=NC=N4)OC1=O

InChI

InChI=1S/C18H13N5O2/c1-22-15-7-6-14(8-16(15)25-18(22)24)17(23-11-20-10-21-23)13-4-2-12(9-19)3-5-13/h2-8,10-11,17H,1H3