4-[(7-bromanyl-2,3-dimethyl-1-benzofuran-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(7-bromanyl-2,3-dimethyl-1-benzofuran-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(7-bromo-2,3-dimethyl-benzofuran-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]benzonitrile CAS Name: 4-[(7-bromo-2,3-dimethyl-4-benzofuranyl)-(1H-1,2,4-triazol-5-yl)methyl]benzonitrile IUPAC Name: 4-[(7-bromo-2,3-dimethyl-1-benzofuran-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]benzonitrile Traditional Name: 4-[(7-bromo-2,3-dimethyl-benzofuran-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]benzonitrile Formula: C20H15BrN4O MolecularWeight: 407.2633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C=CC(=C12)C(C3=CC=C(C=C3)C#N)C4=NC=NN4)Br)C

Isomeric SMILES

CC1=C(OC2=C(C=CC(=C12)C(C3=CC=C(C=C3)C#N)C4=NC=NN4)Br)C

InChI

InChI=1S/C20H15BrN4O/c1-11-12(2)26-19-16(21)8-7-15(17(11)19)18(20-23-10-24-25-20)14-5-3-13(9-22)4-6-14/h3-8,10,18H,1-2H3,(H,23,24,25)