N-[1-[5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide

Systemtic Name: N-[1-[5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: N-[1-[4-allyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide CAS Name: N-[1-[5-(2-phenoxyethylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: N-[1-[5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: N-[1-[4-allyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1CC=C)SCCOC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C1=NN=C(N1CC=C)SCCOC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O2S/c1-3-14-26-20(17(2)23-21(27)18-10-6-4-7-11-18)24-25-22(26)29-16-15-28-19-12-8-5-9-13-19/h3-13,17H,1,14-16H2,2H3,(H,23,27)