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

Systemtic Name: 1-[[4-cyclohexyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-cyclohexyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-cyclohexyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-cyclohexyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-cyclohexyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)C

InChI

InChI=1S/C18H23N3OS/c1-13-7-6-8-15(11-13)17-19-20-18(23-12-14(2)22)21(17)16-9-4-3-5-10-16/h6-8,11,16H,3-5,9-10,12H2,1-2H3