N-[(1S)-1-(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)ethyl]benzamide

Systemtic Name: N-[(1S)-1-(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)ethyl]benzamide Openeye Name: N-[(1S)-1-(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)ethyl]benzamide CAS Name: N-[(1S)-1-[4-ethyl-5-(phenacylthio)-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: N-[(1S)-1-(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)ethyl]benzamide Traditional Name: N-[(1S)-1-[4-ethyl-5-(phenacylthio)-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C(C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)[C@H](C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S/c1-3-25-19(15(2)22-20(27)17-12-8-5-9-13-17)23-24-21(25)28-14-18(26)16-10-6-4-7-11-16/h4-13,15H,3,14H2,1-2H3,(H,22,27)/t15-/m0/s1