2-[3-(4-chlorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanoate

Systemtic Name: 2-[3-(4-chlorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanoate Openeye Name: 2-[3-(4-chlorophenyl)-5-(1-naphthylmethylsulfanyl)-1,2,4-triazol-4-yl]acetate CAS Name: 2-[3-(4-chlorophenyl)-5-(1-naphthalenylmethylthio)-1,2,4-triazol-4-yl]acetate IUPAC Name: 2-[3-(4-chlorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-yl]acetate Traditional Name: 2-[3-(4-chlorophenyl)-5-(1-naphthylmethylthio)-1,2,4-triazol-4-yl]acetate Formula: C21H15ClN3O2S- MolecularWeight: 408.8807

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(N3CC(=O)[O-])C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(N3CC(=O)[O-])C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H16ClN3O2S/c22-17-10-8-15(9-11-17)20-23-24-21(25(20)12-19(26)27)28-13-16-6-3-5-14-4-1-2-7-18(14)16/h1-11H,12-13H2,(H,26,27)/p-1