ethyl 3-[[5-bromanyl-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: ethyl 3-[[5-bromanyl-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl 3-[[5-bromo-4-(4-cyclopropyl-1-naphthyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-bromo-4-(4-cyclopropyl-1-naphthyl)-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=NN=C(N1C2=CC=C(C3=CC=CC=C32)C4CC4)Br

Isomeric SMILES

CCOC(=O)CCSC1=NN=C(N1C2=CC=C(C3=CC=CC=C32)C4CC4)Br

InChI

InChI=1S/C20H20BrN3O2S/c1-2-26-18(25)11-12-27-20-23-22-19(21)24(20)17-10-9-14(13-7-8-13)15-5-3-4-6-16(15)17/h3-6,9-10,13H,2,7-8,11-12H2,1H3