3-[5-[2-(3-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[2-(3-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(3-bromophenyl)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-(3-bromophenyl)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(3-bromophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-(3-bromophenyl)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C14H15BrN4O2S MolecularWeight: 383.2635

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)Br)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)Br)CCC(=O)N

InChI

InChI=1S/C14H15BrN4O2S/c1-19-13(6-5-12(16)21)17-18-14(19)22-8-11(20)9-3-2-4-10(15)7-9/h2-4,7H,5-6,8H2,1H3,(H2,16,21)