3-[5-[(1R)-1-cyanoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[5-[(1R)-1-cyanoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[4-allyl-5-[(1R)-1-cyanoethyl]sulfanyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[5-[[(1R)-1-cyanoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[5-[(1R)-1-cyanoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-allyl-5-[[(1R)-1-cyanoethyl]thio]-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C18H23N5O2S2 MolecularWeight: 405.53752

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CC=C)SC(C)C#N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CC=C)S[C@H](C)C#N

InChI

InChI=1S/C18H23N5O2S2/c1-5-11-23-17(20-21-18(23)26-14(4)13-19)15-9-8-10-16(12-15)27(24,25)22(6-2)7-3/h5,8-10,12,14H,1,6-7,11H2,2-4H3/t14-/m1/s1