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

Systemtic Name: 2-[(4-azanyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(4-amino-1,5-dimethyl-1,2,4-triazol-4-ium-3-yl)sulfanyl]acetonitrile CAS Name: 2-[(4-amino-1,5-dimethyl-1,2,4-triazol-4-ium-3-yl)thio]acetonitrile IUPAC Name: 2-[(4-amino-1,5-dimethyl-1,2,4-triazol-4-ium-3-yl)sulfanyl]acetonitrile Traditional Name: 2-[(4-amino-1,5-dimethyl-1,2,4-triazol-4-ium-3-yl)thio]acetonitrile Formula: C6H10N5S+ MolecularWeight: 184.2421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H10N5S/c1-5-10(2)9-6(11(5)8)12-4-3-7/h4,8H2,1-2H3/q+1