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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1C2CCCCC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)CSC1=NN=C(N1C2CCCCC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H23N3OS/c1-14(22)13-23-18-20-19-17(12-15-8-4-2-5-9-15)21(18)16-10-6-3-7-11-16/h2,4-5,8-9,16H,3,6-7,10-13H2,1H3