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

Systemtic Name: ethyl 1-[[5-bromanyl-4-(5-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]cyclobutane-1-carboxylate Openeye Name: ethyl 1-[[5-bromo-4-(5-cyclopropyl-1-naphthyl)-1,2,4-triazol-3-yl]sulfanyl]cyclobutanecarboxylate CAS Name: 1-[[5-bromo-4-(5-cyclopropyl-1-naphthalenyl)-1,2,4-triazol-3-yl]thio]-1-cyclobutanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-bromo-4-(5-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]cyclobutane-1-carboxylate Traditional Name: 1-[[5-bromo-4-(5-cyclopropyl-1-naphthyl)-1,2,4-triazol-3-yl]thio]cyclobutanecarboxylic acid ethyl ester Formula: C22H22BrN3O2S MolecularWeight: 472.39798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC1)SC2=NN=C(N2C3=CC=CC4=C3C=CC=C4C5CC5)Br

Isomeric SMILES

CCOC(=O)C1(CCC1)SC2=NN=C(N2C3=CC=CC4=C3C=CC=C4C5CC5)Br

InChI

InChI=1S/C22H22BrN3O2S/c1-2-28-19(27)22(12-5-13-22)29-21-25-24-20(23)26(21)18-9-4-7-16-15(14-10-11-14)6-3-8-17(16)18/h3-4,6-9,14H,2,5,10-13H2,1H3