N-[2-[[5-bromanyl-2-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[2-[[5-bromanyl-2-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]furan-2-carboxamide Openeye Name: N-[2-[(2-benzyl-5-bromo-1,2,4-triazol-3-yl)sulfanyl]phenyl]furan-2-carboxamide CAS Name: N-[2-[[5-bromo-2-(phenylmethyl)-1,2,4-triazol-3-yl]thio]phenyl]-2-furancarboxamide IUPAC Name: N-[2-[(2-benzyl-5-bromo-1,2,4-triazol-3-yl)sulfanyl]phenyl]furan-2-carboxamide Traditional Name: N-[2-[(2-benzyl-5-bromo-1,2,4-triazol-3-yl)thio]phenyl]-2-furamide Formula: C20H15BrN4O2S MolecularWeight: 455.3277

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NC(=N2)Br)SC3=CC=CC=C3NC(=O)C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NC(=N2)Br)SC3=CC=CC=C3NC(=O)C4=CC=CO4

InChI

InChI=1S/C20H15BrN4O2S/c21-19-23-20(25(24-19)13-14-7-2-1-3-8-14)28-17-11-5-4-9-15(17)22-18(26)16-10-6-12-27-16/h1-12H,13H2,(H,22,26)