4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile

Systemtic Name: 4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile CAS Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)thio]butyronitrile Formula: C6H9N5S MolecularWeight: 183.23416

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Descriptors Computed from Structure

Canonical SMILES:

C(CC#N)CSC1=NNC(=N1)N

Isomeric SMILES

C(CC#N)CSC1=NNC(=N1)N

InChI

InChI=1S/C6H9N5S/c7-3-1-2-4-12-6-9-5(8)10-11-6/h1-2,4H2,(H3,8,9,10,11)