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

Systemtic Name: 1-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-cyclohexyl-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1C2CCCCC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(=O)CSC1=NN=C(N1C2CCCCC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H25N3OS/c1-16(26)15-27-22-24-23-21(25(22)19-11-3-2-4-12-19)14-18-10-7-9-17-8-5-6-13-20(17)18/h5-10,13,19H,2-4,11-12,14-15H2,1H3