5-[5-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-3-yl]-2-prop-2-ynoxy-benzenecarbonitrile

Systemtic Name: 5-[5-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-3-yl]-2-prop-2-ynoxy-benzenecarbonitrile Openeye Name: 5-[5-(2-methyl-4-pyridyl)-1H-1,2,4-triazol-3-yl]-2-prop-2-ynoxy-benzonitrile CAS Name: 5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-2-prop-2-ynoxybenzonitrile IUPAC Name: 5-[5-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-3-yl]-2-prop-2-ynoxybenzonitrile Traditional Name: 5-[5-(2-methyl-4-pyridyl)-1H-1,2,4-triazol-3-yl]-2-propargyloxy-benzonitrile Formula: C18H13N5O MolecularWeight: 315.32872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)C2=NC(=NN2)C3=CC(=C(C=C3)OCC#C)C#N

Isomeric SMILES

CC1=NC=CC(=C1)C2=NC(=NN2)C3=CC(=C(C=C3)OCC#C)C#N

InChI

InChI=1S/C18H13N5O/c1-3-8-24-16-5-4-13(10-15(16)11-19)17-21-18(23-22-17)14-6-7-20-12(2)9-14/h1,4-7,9-10H,8H2,2H3,(H,21,22,23)