3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NNC(=O)N3CCC4=CC=CC=C4)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NNC(=O)N3CCC4=CC=CC=C4)Cl

InChI

InChI=1S/C19H18ClN3O3S/c20-16-8-14-10-25-12-26-17(14)15(9-16)11-27-19-22-21-18(24)23(19)7-6-13-4-2-1-3-5-13/h1-5,8-9H,6-7,10-12H2,(H,21,24)