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

Systemtic Name: 2-chloranyl-N-[3-methyl-1-(5-phenacylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)butyl]benzamide Openeye Name: N-[1-(4-allyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)-3-methyl-butyl]-2-chloro-benzamide CAS Name: 2-chloro-N-[3-methyl-1-[5-(phenacylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]butyl]benzamide IUPAC Name: 2-chloro-N-[3-methyl-1-(5-phenacylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)butyl]benzamide Traditional Name: N-[1-[4-allyl-5-(phenacylthio)-1,2,4-triazol-3-yl]-3-methyl-butyl]-2-chloro-benzamide Formula: C25H27ClN4O2S MolecularWeight: 483.02548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=NN=C(N1CC=C)SCC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)CC(C1=NN=C(N1CC=C)SCC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C25H27ClN4O2S/c1-4-14-30-23(28-29-25(30)33-16-22(31)18-10-6-5-7-11-18)21(15-17(2)3)27-24(32)19-12-8-9-13-20(19)26/h4-13,17,21H,1,14-16H2,2-3H3,(H,27,32)