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

Systemtic Name: (2R)-3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanenitrile Openeye Name: (2R)-3-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanenitrile CAS Name: (2R)-3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]-2-methylpropanenitrile IUPAC Name: (2R)-3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-2-methylpropanenitrile Traditional Name: (2R)-3-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-2-methyl-propionitrile Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC(C)C#N)C2=CC=C(C=C2)OC

Isomeric SMILES

C[C@@H](CSC1=NN=C(N1C(C)C)C2=CC=C(C=C2)OC)C#N

InChI

InChI=1S/C16H20N4OS/c1-11(2)20-15(13-5-7-14(21-4)8-6-13)18-19-16(20)22-10-12(3)9-17/h5-8,11-12H,10H2,1-4H3/t12-/m1/s1