4-[(2-bromanyl-4,5-diethoxy-phenyl)methyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 4-[(2-bromanyl-4,5-diethoxy-phenyl)methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 4-[(2-bromo-4,5-diethoxy-phenyl)methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 4-[(2-bromo-4,5-diethoxyphenyl)methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 4-[(2-bromo-4,5-diethoxyphenyl)methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 4-(2-bromo-4,5-diethoxy-benzyl)-1,2,4-triazole-3-carbonitrile Formula: C14H15BrN4O2 MolecularWeight: 351.1985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CN2C=NN=C2C#N)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CN2C=NN=C2C#N)Br)OCC

InChI

InChI=1S/C14H15BrN4O2/c1-3-20-12-5-10(11(15)6-13(12)21-4-2)8-19-9-17-18-14(19)7-16/h5-6,9H,3-4,8H2,1-2H3