4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)butan-1-one

Systemtic Name: 4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)butan-1-one Openeye Name: 4-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)butan-1-one CAS Name: 4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-(4-fluorophenyl)-1-butanone IUPAC Name: 4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)butan-1-one Traditional Name: 4-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-1-(4-fluorophenyl)butan-1-one Formula: C21H26FN3OS MolecularWeight: 387.514043

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCCC(=O)C2=CC=C(C=C2)F)C3CCCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCCCC(=O)C2=CC=C(C=C2)F)C3CCCCC3

InChI

InChI=1S/C21H26FN3OS/c1-2-14-25-20(17-7-4-3-5-8-17)23-24-21(25)27-15-6-9-19(26)16-10-12-18(22)13-11-16/h2,10-13,17H,1,3-9,14-15H2