2-(5-chloranyl-2-methoxy-phenyl)-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile

Systemtic Name: 2-(5-chloranyl-2-methoxy-phenyl)-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile Openeye Name: 2-(5-chloro-2-methoxy-phenyl)-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile CAS Name: 2-(5-chloro-2-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile IUPAC Name: 2-(5-chloro-2-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile Traditional Name: 2-(5-chloro-2-methoxy-phenyl)-2-(1,2,4-triazol-1-ylmethyl)valeronitrile Formula: C15H17ClN4O MolecularWeight: 304.77468

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CN1C=NC=N1)(C#N)C2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CCCC(CN1C=NC=N1)(C#N)C2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C15H17ClN4O/c1-3-6-15(8-17,9-20-11-18-10-19-20)13-7-12(16)4-5-14(13)21-2/h4-5,7,10-11H,3,6,9H2,1-2H3