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

Systemtic Name: 1-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1CCCOC)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(=O)CSC1=NN=C(N1CCCOC)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C19H27N3O2S/c1-14(23)13-25-18-21-20-17(22(18)11-6-12-24-5)15-7-9-16(10-8-15)19(2,3)4/h7-10H,6,11-13H2,1-5H3