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

Systemtic Name: N-[(1S)-1-(5-phenacylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]benzamide Openeye Name: N-[(1S)-1-(4-isopropyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)ethyl]benzamide CAS Name: N-[(1S)-1-[5-(phenacylthio)-4-propan-2-yl-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: N-[(1S)-1-(5-phenacylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]benzamide Traditional Name: N-[(1S)-1-[4-isopropyl-5-(phenacylthio)-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC(=O)C2=CC=CC=C2)C(C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=NN=C(N1C(C)C)SCC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O2S/c1-15(2)26-20(16(3)23-21(28)18-12-8-5-9-13-18)24-25-22(26)29-14-19(27)17-10-6-4-7-11-17/h4-13,15-16H,14H2,1-3H3,(H,23,28)/t16-/m0/s1