2,3-dimethyl-4-(1H-1,2,4-triazol-5-ylmethyl)-1-benzofuran-7-carbonitrile

Systemtic Name: 2,3-dimethyl-4-(1H-1,2,4-triazol-5-ylmethyl)-1-benzofuran-7-carbonitrile Openeye Name: 2,3-dimethyl-4-(1H-1,2,4-triazol-5-ylmethyl)benzofuran-7-carbonitrile CAS Name: 2,3-dimethyl-4-(1H-1,2,4-triazol-5-ylmethyl)-7-benzofurancarbonitrile IUPAC Name: 2,3-dimethyl-4-(1H-1,2,4-triazol-5-ylmethyl)-1-benzofuran-7-carbonitrile Traditional Name: 2,3-dimethyl-4-(1H-1,2,4-triazol-5-ylmethyl)benzofuran-7-carbonitrile Formula: C14H12N4O MolecularWeight: 252.27128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C=CC(=C12)CC3=NC=NN3)C#N)C

Isomeric SMILES

CC1=C(OC2=C(C=CC(=C12)CC3=NC=NN3)C#N)C

InChI

InChI=1S/C14H12N4O/c1-8-9(2)19-14-11(6-15)4-3-10(13(8)14)5-12-16-7-17-18-12/h3-4,7H,5H2,1-2H3,(H,16,17,18)