2-[4-[(3-azanyl-5-butyl-1,2,4-triazol-4-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(3-azanyl-5-butyl-1,2,4-triazol-4-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(3-amino-5-butyl-1,2,4-triazol-4-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(3-amino-5-butyl-1,2,4-triazol-4-yl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(3-amino-5-butyl-1,2,4-triazol-4-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(3-amino-5-butyl-1,2,4-triazol-4-yl)methyl]phenyl]benzonitrile Formula: C20H21N5 MolecularWeight: 331.41424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)N

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)N

InChI

InChI=1S/C20H21N5/c1-2-3-8-19-23-24-20(22)25(19)14-15-9-11-16(12-10-15)18-7-5-4-6-17(18)13-21/h4-7,9-12H,2-3,8,14H2,1H3,(H2,22,24)