3-[chloranyl(phenyl)methyl]-2-[2-(1,2,4-triazol-1-yl)ethyl]benzenecarbonitrile

Systemtic Name: 3-[chloranyl(phenyl)methyl]-2-[2-(1,2,4-triazol-1-yl)ethyl]benzenecarbonitrile Openeye Name: 3-[chloro(phenyl)methyl]-2-[2-(1,2,4-triazol-1-yl)ethyl]benzonitrile CAS Name: 3-[chloro(phenyl)methyl]-2-[2-(1,2,4-triazol-1-yl)ethyl]benzonitrile IUPAC Name: 3-[chloro(phenyl)methyl]-2-[2-(1,2,4-triazol-1-yl)ethyl]benzonitrile Traditional Name: 3-[chloro(phenyl)methyl]-2-[2-(1,2,4-triazol-1-yl)ethyl]benzonitrile Formula: C18H15ClN4 MolecularWeight: 322.7915

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC(=C2CCN3C=NC=N3)C#N)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC(=C2CCN3C=NC=N3)C#N)Cl

InChI

InChI=1S/C18H15ClN4/c19-18(14-5-2-1-3-6-14)17-8-4-7-15(11-20)16(17)9-10-23-13-21-12-22-23/h1-8,12-13,18H,9-10H2