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

Systemtic Name: (2R)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-phenyl-propanenitrile Openeye Name: (2R)-2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-phenyl-propanenitrile CAS Name: (2R)-2-[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-3-phenylpropanenitrile IUPAC Name: (2R)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-phenylpropanenitrile Traditional Name: (2R)-2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-3-phenyl-propionitrile Formula: C21H16N4OS MolecularWeight: 372.44294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C#N)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C#N)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C21H16N4OS/c22-15-18(14-16-8-3-1-4-9-16)27-21-24-23-20(19-12-7-13-26-19)25(21)17-10-5-2-6-11-17/h1-13,18H,14H2/t18-/m1/s1