methyl 4-[(4-ethyl-5-naphthalen-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(4-ethyl-5-naphthalen-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-ethyl-5-(1-naphthyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-ethyl-5-(1-naphthalenyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-ethyl-5-naphthalen-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[[4-ethyl-5-(1-naphthyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H21N3O2S/c1-3-26-21(20-10-6-8-17-7-4-5-9-19(17)20)24-25-23(26)29-15-16-11-13-18(14-12-16)22(27)28-2/h4-14H,3,15H2,1-2H3