N-[4-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]-N-methyl-methanesulfonamide

Systemtic Name: N-[4-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]-N-methyl-methanesulfonamide Openeye Name: N-[4-[2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]-N-methyl-methanesulfonamide CAS Name: N-[4-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]phenyl]-N-methylmethanesulfonamide IUPAC Name: N-[4-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]-N-methylmethanesulfonamide Traditional Name: N-[4-[2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]acetyl]phenyl]-N-methyl-methanesulfonamide Formula: C21H28N4O3S2 MolecularWeight: 448.60202

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3CCCCC3)S(=O)(=O)C

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3CCCCC3)S(=O)(=O)C

InChI

InChI=1S/C21H28N4O3S2/c1-4-14-25-20(17-8-6-5-7-9-17)22-23-21(25)29-15-19(26)16-10-12-18(13-11-16)24(2)30(3,27)28/h4,10-13,17H,1,5-9,14-15H2,2-3H3