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

Systemtic Name: (2R)-2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: (2R)-2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: (2R)-2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: (2R)-2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: (2R)-2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]propionitrile Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3OC

Isomeric SMILES

C[C@H](C#N)SC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3OC

InChI

InChI=1S/C20H20N4OS/c1-15(14-21)26-20-23-22-19(17-10-6-7-11-18(17)25-2)24(20)13-12-16-8-4-3-5-9-16/h3-11,15H,12-13H2,1-2H3/t15-/m1/s1