1,1-dimethyl-2-oxidanyl-8-(1,2,4-triazol-1-ylmethyl)-2H-benzo[e][1]benzofuran-7-carbonitrile

Systemtic Name: 1,1-dimethyl-2-oxidanyl-8-(1,2,4-triazol-1-ylmethyl)-2H-benzo[e][1]benzofuran-7-carbonitrile Openeye Name: 2-hydroxy-1,1-dimethyl-8-(1,2,4-triazol-1-ylmethyl)-2H-benzo[e]benzofuran-7-carbonitrile CAS Name: 2-hydroxy-1,1-dimethyl-8-(1,2,4-triazol-1-ylmethyl)-2H-benzo[e]benzofuran-7-carbonitrile IUPAC Name: 2-hydroxy-1,1-dimethyl-8-(1,2,4-triazol-1-ylmethyl)-2H-benzo[e][1]benzofuran-7-carbonitrile Traditional Name: 2-hydroxy-1,1-dimethyl-8-(1,2,4-triazol-1-ylmethyl)-2H-benzo[e]benzofuran-7-carbonitrile Formula: C18H16N4O2 MolecularWeight: 320.34524

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(OC2=C1C3=C(C=C2)C=C(C(=C3)CN4C=NC=N4)C#N)O)C

Isomeric SMILES

CC1(C(OC2=C1C3=C(C=C2)C=C(C(=C3)CN4C=NC=N4)C#N)O)C

InChI

InChI=1S/C18H16N4O2/c1-18(2)16-14-6-13(8-22-10-20-9-21-22)12(7-19)5-11(14)3-4-15(16)24-17(18)23/h3-6,9-10,17,23H,8H2,1-2H3