2-(3-methoxy-3-methyl-butoxy)-5-(3-pyridazin-4-yl-1H-1,2,4-triazol-5-yl)benzenecarbonitrile

Systemtic Name: 2-(3-methoxy-3-methyl-butoxy)-5-(3-pyridazin-4-yl-1H-1,2,4-triazol-5-yl)benzenecarbonitrile Openeye Name: 2-(3-methoxy-3-methyl-butoxy)-5-(3-pyridazin-4-yl-1H-1,2,4-triazol-5-yl)benzonitrile CAS Name: 2-(3-methoxy-3-methylbutoxy)-5-[3-(4-pyridazinyl)-1H-1,2,4-triazol-5-yl]benzonitrile IUPAC Name: 2-(3-methoxy-3-methylbutoxy)-5-(3-pyridazin-4-yl-1H-1,2,4-triazol-5-yl)benzonitrile Traditional Name: 2-(3-methoxy-3-methyl-butoxy)-5-(3-pyridazin-4-yl-1H-1,2,4-triazol-5-yl)benzonitrile Formula: C19H20N6O2 MolecularWeight: 364.4011

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCOC1=C(C=C(C=C1)C2=NC(=NN2)C3=CN=NC=C3)C#N)OC

Isomeric SMILES

CC(C)(CCOC1=C(C=C(C=C1)C2=NC(=NN2)C3=CN=NC=C3)C#N)OC

InChI

InChI=1S/C19H20N6O2/c1-19(2,26-3)7-9-27-16-5-4-13(10-15(16)11-20)17-23-18(25-24-17)14-6-8-21-22-12-14/h4-6,8,10,12H,7,9H2,1-3H3,(H,23,24,25)