3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Traditional Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-phenyl-1H-1,2,4-triazole Formula: C17H14ClN3O2S MolecularWeight: 359.82996

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NNC(=N3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NNC(=N3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C17H14ClN3O2S/c18-14-6-12-8-22-10-23-15(12)13(7-14)9-24-17-19-16(20-21-17)11-4-2-1-3-5-11/h1-7H,8-10H2,(H,19,20,21)