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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Openeye Name: 2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: 2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Traditional Name: 2-[[4-allyl-5-(4-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=C(C=C1)C2=NN=C(N2CC=C)SC3CCCCC3=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SC3CCCCC3=O

InChI

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