3-[[4-(2-azanylethyl)-1,2,3-triazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(2-azanylethyl)-1,2,3-triazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(2-aminoethyl)triazol-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(2-aminoethyl)-1-triazolyl]methyl]benzonitrile IUPAC Name: 3-[[4-(2-aminoethyl)triazol-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(2-aminoethyl)triazol-1-yl]methyl]benzonitrile Formula: C12H13N5 MolecularWeight: 227.26512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=C(N=N2)CCN)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=C(N=N2)CCN)C#N

InChI

InChI=1S/C12H13N5/c13-5-4-12-9-17(16-15-12)8-11-3-1-2-10(6-11)7-14/h1-3,6,9H,4-5,8,13H2