2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanenitrile

Systemtic Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanenitrile Openeye Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]acetonitrile CAS Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]acetonitrile IUPAC Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]acetonitrile Traditional Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]acetonitrile Formula: C13H11N5 MolecularWeight: 237.25994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CN3C=NC=N3)C(=CN2)CC#N

Isomeric SMILES

C1=CC2=C(C=C1CN3C=NC=N3)C(=CN2)CC#N

InChI

InChI=1S/C13H11N5/c14-4-3-11-6-16-13-2-1-10(5-12(11)13)7-18-9-15-8-17-18/h1-2,5-6,8-9,16H,3,7H2