methyl 2-[[3-(3-bromophenyl)-4-methyl-2H-1,2,3-triazol-1-yl]sulfanyl]pentanoate

Systemtic Name: methyl 2-[[3-(3-bromophenyl)-4-methyl-2H-1,2,3-triazol-1-yl]sulfanyl]pentanoate Openeye Name: methyl 2-[[3-(3-bromophenyl)-4-methyl-2H-triazol-1-yl]sulfanyl]pentanoate CAS Name: 2-[[3-(3-bromophenyl)-4-methyl-2H-triazol-1-yl]thio]pentanoic acid methyl ester IUPAC Name: methyl 2-[[3-(3-bromophenyl)-4-methyl-2H-triazol-1-yl]sulfanyl]pentanoate Traditional Name: 2-[[3-(3-bromophenyl)-4-methyl-2H-triazol-1-yl]thio]valeric acid methyl ester Formula: C15H20BrN3O2S MolecularWeight: 386.3072

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OC)SN1C=C(N(N1)C2=CC(=CC=C2)Br)C

Isomeric SMILES

CCCC(C(=O)OC)SN1C=C(N(N1)C2=CC(=CC=C2)Br)C

InChI

InChI=1S/C15H20BrN3O2S/c1-4-6-14(15(20)21-3)22-18-10-11(2)19(17-18)13-8-5-7-12(16)9-13/h5,7-10,14,17H,4,6H2,1-3H3