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

Systemtic Name: 4-chloranyl-N-[1-(5-phenacylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)ethyl]benzamide Openeye Name: N-[1-(4-allyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)ethyl]-4-chloro-benzamide CAS Name: 4-chloro-N-[1-[5-(phenacylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 4-chloro-N-[1-(5-phenacylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)ethyl]benzamide Traditional Name: N-[1-[4-allyl-5-(phenacylthio)-1,2,4-triazol-3-yl]ethyl]-4-chloro-benzamide Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O2S/c1-3-13-27-20(15(2)24-21(29)17-9-11-18(23)12-10-17)25-26-22(27)30-14-19(28)16-7-5-4-6-8-16/h3-12,15H,1,13-14H2,2H3,(H,24,29)