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

Systemtic Name: (2S)-3-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanenitrile Openeye Name: (2S)-3-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanenitrile CAS Name: (2S)-3-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-2-methylpropanenitrile IUPAC Name: (2S)-3-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methylpropanenitrile Traditional Name: (2S)-3-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-2-methyl-propionitrile Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

C[C@H](CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C21H22N4OS/c1-16(14-22)15-27-21-24-23-20(18-8-10-19(26-2)11-9-18)25(21)13-12-17-6-4-3-5-7-17/h3-11,16H,12-13,15H2,1-2H3/t16-/m0/s1