(2R)-2-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: (2R)-2-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: (2R)-2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile CAS Name: (2R)-2-[[5-oxo-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: (2R)-2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: (2R)-2-[(4-benzyl-5-keto-1H-1,2,4-triazol-3-yl)thio]propionitrile Formula: C12H12N4OS MolecularWeight: 260.31488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NNC(=O)N1CC2=CC=CC=C2

Isomeric SMILES

C[C@H](C#N)SC1=NNC(=O)N1CC2=CC=CC=C2

InChI

InChI=1S/C12H12N4OS/c1-9(7-13)18-12-15-14-11(17)16(12)8-10-5-3-2-4-6-10/h2-6,9H,8H2,1H3,(H,14,17)/t9-/m1/s1