2-[4-(1,2,3-thiadiazol-4-ylmethylamino)phenyl]ethanenitrile

Systemtic Name: 2-[4-(1,2,3-thiadiazol-4-ylmethylamino)phenyl]ethanenitrile Openeye Name: 2-[4-(thiadiazol-4-ylmethylamino)phenyl]acetonitrile CAS Name: 2-[4-(4-thiadiazolylmethylamino)phenyl]acetonitrile IUPAC Name: 2-[4-(thiadiazol-4-ylmethylamino)phenyl]acetonitrile Traditional Name: 2-[4-(thiadiazol-4-ylmethylamino)phenyl]acetonitrile Formula: C11H10N4S MolecularWeight: 230.2889

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NCC2=CSN=N2

Isomeric SMILES

C1=CC(=CC=C1CC#N)NCC2=CSN=N2

InChI

InChI=1S/C11H10N4S/c12-6-5-9-1-3-10(4-2-9)13-7-11-8-16-15-14-11/h1-4,8,13H,5,7H2