2-[(1,4,5-trimethyl-1,2,4-triazol-4-ium-3-yl)sulfanyl]ethanenitrile

Systemtic Name: 2-[(1,4,5-trimethyl-1,2,4-triazol-4-ium-3-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(1,4,5-trimethyl-1,2,4-triazol-4-ium-3-yl)sulfanyl]acetonitrile CAS Name: 2-[(1,4,5-trimethyl-1,2,4-triazol-4-ium-3-yl)thio]acetonitrile IUPAC Name: 2-[(1,4,5-trimethyl-1,2,4-triazol-4-ium-3-yl)sulfanyl]acetonitrile Traditional Name: 2-[(1,4,5-trimethyl-1,2,4-triazol-4-ium-3-yl)thio]acetonitrile Formula: C7H11N4S+ MolecularWeight: 183.25404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NN1C)SCC#N)C

Isomeric SMILES

CC1=[N+](C(=NN1C)SCC#N)C

InChI

InChI=1S/C7H11N4S/c1-6-10(2)7(9-11(6)3)12-5-4-8/h5H2,1-3H3/q+1