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

Systemtic Name: 1-[[5-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[5-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[5-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[5-(4-tert-butylphenyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]acetone Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H27N3O2S/c1-6-28-20-13-11-19(12-14-20)26-21(24-25-22(26)29-15-16(2)27)17-7-9-18(10-8-17)23(3,4)5/h7-14H,6,15H2,1-5H3