3-[4-azanyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[4-azanyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[4-amino-5-[(E)-cinnamyl]sulfanyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[4-amino-5-[[(E)-3-phenylprop-2-enyl]thio]-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-amino-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-amino-5-[[(E)-cinnamyl]thio]-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C21H25N5O2S2 MolecularWeight: 443.5855

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC=CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H25N5O2S2/c1-3-25(4-2)30(27,28)19-14-8-13-18(16-19)20-23-24-21(26(20)22)29-15-9-12-17-10-6-5-7-11-17/h5-14,16H,3-4,15,22H2,1-2H3/b12-9+