1-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC=CC=C3OC

Isomeric SMILES

CC(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC=CC=C3OC

InChI

InChI=1S/C18H23N3O2S/c1-13(22)12-24-18-20-19-17(15-10-6-7-11-16(15)23-2)21(18)14-8-4-3-5-9-14/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3