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

Systemtic Name: ethyl 2-[4-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-methyl-5-(1-naphthylmethylsulfanyl)-1,2,4-triazol-3-yl]acetate CAS Name: 2-[4-methyl-5-(1-naphthalenylmethylthio)-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[4-methyl-5-(1-naphthylmethylthio)-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C)SCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C)SCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C18H19N3O2S/c1-3-23-17(22)11-16-19-20-18(21(16)2)24-12-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,3,11-12H2,1-2H3