3-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(1-benzyl-5-chloro-benzimidazol-2-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(1-benzyl-5-chlorobenzimidazol-2-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(1-benzyl-5-chloro-benzimidazol-2-yl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C20H20ClN5OS MolecularWeight: 413.9237

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

InChI

InChI=1S/C20H20ClN5OS/c1-2-10-25-19(27)23-24-20(25)28-13-18-22-16-11-15(21)8-9-17(16)26(18)12-14-6-4-3-5-7-14/h3-9,11H,2,10,12-13H2,1H3,(H,23,27)