(2R)-2-[[4-azanyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: (2R)-2-[[4-azanyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: (2R)-2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: (2R)-2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: (2R)-2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: (2R)-2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C13H21N5S MolecularWeight: 279.40434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NN=C(N1N)CCC2CCCCC2

Isomeric SMILES

C[C@H](C#N)SC1=NN=C(N1N)CCC2CCCCC2

InChI

InChI=1S/C13H21N5S/c1-10(9-14)19-13-17-16-12(18(13)15)8-7-11-5-3-2-4-6-11/h10-11H,2-8,15H2,1H3/t10-/m1/s1