2-[4-azanyl-1-(2-methyl-1,2,4-triazol-3-yl)butoxy]-4-chloranyl-benzenecarbonitrile

Systemtic Name: 2-[4-azanyl-1-(2-methyl-1,2,4-triazol-3-yl)butoxy]-4-chloranyl-benzenecarbonitrile Openeye Name: 2-[4-amino-1-(2-methyl-1,2,4-triazol-3-yl)butoxy]-4-chloro-benzonitrile CAS Name: 2-[4-amino-1-(2-methyl-1,2,4-triazol-3-yl)butoxy]-4-chlorobenzonitrile IUPAC Name: 2-[4-amino-1-(2-methyl-1,2,4-triazol-3-yl)butoxy]-4-chlorobenzonitrile Traditional Name: 2-[4-amino-1-(2-methyl-1,2,4-triazol-3-yl)butoxy]-4-chloro-benzonitrile Formula: C14H16ClN5O MolecularWeight: 305.76274

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC=N1)C(CCCN)OC2=C(C=CC(=C2)Cl)C#N

Isomeric SMILES

CN1C(=NC=N1)C(CCCN)OC2=C(C=CC(=C2)Cl)C#N

InChI

InChI=1S/C14H16ClN5O/c1-20-14(18-9-19-20)12(3-2-6-16)21-13-7-11(15)5-4-10(13)8-17/h4-5,7,9,12H,2-3,6,16H2,1H3