(2R)-1-(4-tert-butylphenyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: (2R)-1-(4-tert-butylphenyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2R)-1-(4-tert-butylphenyl)-2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: (2R)-1-(4-tert-butylphenyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2R)-1-(4-tert-butylphenyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2R)-1-(4-tert-butylphenyl)-2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C21H25N3OS2 MolecularWeight: 399.5727

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1S[C@H](C)C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC=CS3

InChI

InChI=1S/C21H25N3OS2/c1-6-24-19(17-8-7-13-26-17)22-23-20(24)27-14(2)18(25)15-9-11-16(12-10-15)21(3,4)5/h7-14H,6H2,1-5H3/t14-/m1/s1