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

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

C1=CC=C(C=C1)CN2C(=NN=C2SCCC(=O)N)C3=CC=C(O3)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCCC(=O)N)C3=CC=C(O3)Br

InChI

InChI=1S/C16H15BrN4O2S/c17-13-7-6-12(23-13)15-19-20-16(24-9-8-14(18)22)21(15)10-11-4-2-1-3-5-11/h1-7H,8-10H2,(H2,18,22)