2-[[4-azanyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-furylmethyl)acetamide CAS Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-furfuryl)acetamide Formula: C15H14BrN5O2S MolecularWeight: 408.27296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NN=C(N2N)SCC(=O)NCC3=CC=CO3

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NN=C(N2N)SCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C15H14BrN5O2S/c16-11-4-1-3-10(7-11)14-19-20-15(21(14)17)24-9-13(22)18-8-12-5-2-6-23-12/h1-7H,8-9,17H2,(H,18,22)