2-[3-azanyl-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]ethanenitrile

Systemtic Name: 2-[3-azanyl-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]ethanenitrile Openeye Name: 2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]acetonitrile CAS Name: 2-[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]acetonitrile IUPAC Name: 2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]acetonitrile Traditional Name: 2-[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]acetonitrile Formula: C6H6N6S MolecularWeight: 194.21704

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Descriptors Computed from Structure

Canonical SMILES:

C(C#N)N1C(=NN=C1SCC#N)N

Isomeric SMILES

C(C#N)N1C(=NN=C1SCC#N)N

InChI

InChI=1S/C6H6N6S/c7-1-3-12-5(9)10-11-6(12)13-4-2-8/h3-4H2,(H2,9,10)