4-chloranyl-2-methyl-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]butanenitrile hydrochloride

Systemtic Name: 4-chloranyl-2-methyl-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]butanenitrile hydrochloride Openeye Name: 4-chloro-2-methyl-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]butanenitrile hydrochloride CAS Name: 4-chloro-2-methyl-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]butanenitrile hydrochloride IUPAC Name: 4-chloro-2-methyl-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]butanenitrile hydrochloride Traditional Name: 4-chloro-2-methyl-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]butyronitrile hydrochloride Formula: C14H16Cl2N4 MolecularWeight: 311.20964

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCl)(C#N)C1=CC=CC(=C1)CN2C=NC=N2.Cl

Isomeric SMILES

CC(CCCl)(C#N)C1=CC=CC(=C1)CN2C=NC=N2.Cl

InChI

InChI=1S/C14H15ClN4.ClH/c1-14(9-16,5-6-15)13-4-2-3-12(7-13)8-19-11-17-10-18-19;/h2-4,7,10-11H,5-6,8H2,1H3;1H