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

Systemtic Name: 4-chloranyl-N-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]benzamide Openeye Name: 4-chloro-N-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]benzamide CAS Name: 4-chloro-N-[[5-(phenacylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-chloro-N-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]benzamide Traditional Name: 4-chloro-N-[[5-(phenacylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Formula: C24H19ClN4O2S MolecularWeight: 462.95126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H19ClN4O2S/c25-19-13-11-18(12-14-19)23(31)26-15-22-27-28-24(29(22)20-9-5-2-6-10-20)32-16-21(30)17-7-3-1-4-8-17/h1-14H,15-16H2,(H,26,31)