(2S)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one

Systemtic Name: (2S)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Openeye Name: (2S)-2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: (2S)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: (2S)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Traditional Name: (2S)-2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CC=C)SC3CCCCC3=O

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC=C)S[C@H]3CCCCC3=O

InChI

InChI=1S/C18H21N3O2S/c1-3-12-21-17(13-8-4-6-10-15(13)23-2)19-20-18(21)24-16-11-7-5-9-14(16)22/h3-4,6,8,10,16H,1,5,7,9,11-12H2,2H3/t16-/m0/s1