2-[3-[(Z)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]ethanenitrile

Systemtic Name: 2-[3-[(Z)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]ethanenitrile Openeye Name: 2-[3-[(Z)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetonitrile CAS Name: 2-[3-[(Z)-1,2,4-triazol-4-yliminomethyl]-1-indolyl]acetonitrile IUPAC Name: 2-[3-[(Z)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetonitrile Traditional Name: 2-[3-[(Z)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetonitrile Formula: C13H10N6 MolecularWeight: 250.2587

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC#N)C=NN3C=NN=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC#N)/C=N\N3C=NN=C3

InChI

InChI=1S/C13H10N6/c14-5-6-18-8-11(7-17-19-9-15-16-10-19)12-3-1-2-4-13(12)18/h1-4,7-10H,6H2/b17-7-