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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-propan-1-one Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-propan-1-one CAS Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)-1-propanone IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-morpholino-propan-1-one Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)N2CCOCC2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)N2CCOCC2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H30N4O2S/c1-6-25-18(16-7-9-17(10-8-16)21(3,4)5)22-23-20(25)28-15(2)19(26)24-11-13-27-14-12-24/h7-10,15H,6,11-14H2,1-5H3