3-(1H-1,2,4-triazol-5-ylmethylsulfanyl)propanenitrile

Systemtic Name: 3-(1H-1,2,4-triazol-5-ylmethylsulfanyl)propanenitrile Openeye Name: 3-(1H-1,2,4-triazol-5-ylmethylsulfanyl)propanenitrile CAS Name: 3-(1H-1,2,4-triazol-5-ylmethylthio)propanenitrile IUPAC Name: 3-(1H-1,2,4-triazol-5-ylmethylsulfanyl)propanenitrile Traditional Name: 3-(1H-1,2,4-triazol-5-ylmethylthio)propionitrile Formula: C6H8N4S MolecularWeight: 168.21952

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Descriptors Computed from Structure

Canonical SMILES:

C1=NNC(=N1)CSCCC#N

Isomeric SMILES

C1=NNC(=N1)CSCCC#N

InChI

InChI=1S/C6H8N4S/c7-2-1-3-11-4-6-8-5-9-10-6/h5H,1,3-4H2,(H,8,9,10)