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

Systemtic Name: (2R)-2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-phenyl-propanenitrile Openeye Name: (2R)-2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-phenyl-propanenitrile CAS Name: (2R)-2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-3-phenylpropanenitrile IUPAC Name: (2R)-2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-phenylpropanenitrile Traditional Name: (2R)-2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-3-phenyl-propionitrile Formula: C22H24N4S MolecularWeight: 376.51776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SC(CC3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)S[C@H](CC3=CC=CC=C3)C#N

InChI

InChI=1S/C22H24N4S/c1-22(2,3)18-12-10-17(11-13-18)20-24-25-21(26(20)4)27-19(15-23)14-16-8-6-5-7-9-16/h5-13,19H,14H2,1-4H3/t19-/m1/s1