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

Systemtic Name: N-(4-bromophenyl)-3-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-bromophenyl)-3-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-bromophenyl)-3-[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-bromophenyl)-3-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-bromophenyl)-3-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C16H15BrN4O2S MolecularWeight: 407.2849

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)NC2=CC=C(C=C2)Br)C3=CC=CO3

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)NC2=CC=C(C=C2)Br)C3=CC=CO3

InChI

InChI=1S/C16H15BrN4O2S/c1-21-15(13-3-2-9-23-13)19-20-16(21)24-10-8-14(22)18-12-6-4-11(17)5-7-12/h2-7,9H,8,10H2,1H3,(H,18,22)