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

Systemtic Name: N-[2-[5-(naphthalen-1-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: N-[2-[5-(1-naphthylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide CAS Name: N-[2-[5-(1-naphthalenylmethylthio)-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: N-[2-[5-(naphthalen-1-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: N-[2-[5-(1-naphthylmethylthio)-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C28H24N4OS MolecularWeight: 464.58136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H24N4OS/c33-27(22-11-3-1-4-12-22)29-19-18-26-30-31-28(32(26)24-15-5-2-6-16-24)34-20-23-14-9-13-21-10-7-8-17-25(21)23/h1-17H,18-20H2,(H,29,33)