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

Systemtic Name: (2R)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: (2R)-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile CAS Name: (2R)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: (2R)-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: (2R)-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]propionitrile Formula: C15H16N4S MolecularWeight: 284.37934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NN=C(N1CC2=CC=CC=C2)C3CC3

Isomeric SMILES

C[C@H](C#N)SC1=NN=C(N1CC2=CC=CC=C2)C3CC3

InChI

InChI=1S/C15H16N4S/c1-11(9-16)20-15-18-17-14(13-7-8-13)19(15)10-12-5-3-2-4-6-12/h2-6,11,13H,7-8,10H2,1H3/t11-/m1/s1