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

Systemtic Name: 4-chloranyl-N-[[5-(naphthalen-1-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-chloro-N-[[5-(1-naphthylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-chloro-N-[[5-(1-naphthalenylmethylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-chloro-N-[[5-(naphthalen-1-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-chloro-N-[[5-(1-naphthylmethylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Formula: C27H21ClN4OS MolecularWeight: 484.99984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC4=CC=CC=C43)CNC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC4=CC=CC=C43)CNC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H21ClN4OS/c28-22-15-13-20(14-16-22)26(33)29-17-25-30-31-27(32(25)23-10-2-1-3-11-23)34-18-21-9-6-8-19-7-4-5-12-24(19)21/h1-16H,17-18H2,(H,29,33)