[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]-(furan-2-yl)methanone

Systemtic Name: [5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]-(furan-2-yl)methanone Openeye Name: [5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]-(2-furyl)methanone CAS Name: [5-(1H-benzimidazol-2-ylmethylthio)-4-phenyl-1,2,4-triazol-3-yl]-(2-furanyl)methanone IUPAC Name: [5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]-(furan-2-yl)methanone Traditional Name: [5-(1H-benzimidazol-2-ylmethylthio)-4-phenyl-1,2,4-triazol-3-yl]-(2-furyl)methanone Formula: C21H15N5O2S MolecularWeight: 401.4411

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)C(=O)C5=CC=CO5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)C(=O)C5=CC=CO5

InChI

InChI=1S/C21H15N5O2S/c27-19(17-11-6-12-28-17)20-24-25-21(26(20)14-7-2-1-3-8-14)29-13-18-22-15-9-4-5-10-16(15)23-18/h1-12H,13H2,(H,22,23)