2-[[5-[(1S)-1-phenoxyethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-[(1S)-1-phenoxyethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-allyl-5-[(1S)-1-phenoxyethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-[(1S)-1-phenoxyethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-[(1S)-1-phenoxyethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-allyl-5-[(1S)-1-phenoxyethyl]-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1CC=C)SCC(=O)C2=CC=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=NN=C(N1CC=C)SCC(=O)C2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S/c1-3-14-24-20(16(2)26-18-12-8-5-9-13-18)22-23-21(24)27-15-19(25)17-10-6-4-7-11-17/h3-13,16H,1,14-15H2,2H3/t16-/m0/s1