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

Systemtic Name: 3-[5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-cyclopropyl-1,2,4-triazol-3-yl]propionamide Formula: C16H17BrN4O2S MolecularWeight: 409.30078

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Br)CCC(=O)N

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Br)CCC(=O)N

InChI

InChI=1S/C16H17BrN4O2S/c17-11-3-1-10(2-4-11)13(22)9-24-16-20-19-15(8-7-14(18)23)21(16)12-5-6-12/h1-4,12H,5-9H2,(H2,18,23)