2-[[5-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: 2-[[5-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[5-(5-bromo-2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[[4-benzyl-5-(5-bromofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 2-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C16H15BrN4O2S MolecularWeight: 407.2849

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(O3)Br

Isomeric SMILES

CC(C(=O)N)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(O3)Br

InChI

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