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

Systemtic Name: (2R)-2-[[4-azanyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: (2R)-2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: (2R)-2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: (2R)-2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: (2R)-2-[(4-amino-5-p-phenetyl-1,2,4-triazol-3-yl)thio]propionitrile Formula: C13H15N5OS MolecularWeight: 289.3561

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SC(C)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2N)S[C@H](C)C#N

InChI

InChI=1S/C13H15N5OS/c1-3-19-11-6-4-10(5-7-11)12-16-17-13(18(12)15)20-9(2)8-14/h4-7,9H,3,15H2,1-2H3/t9-/m1/s1