3-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole

Systemtic Name: 3-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Openeye Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole CAS Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Traditional Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-phenyl-1H-1,2,4-triazole Formula: C17H14ClN3O2S MolecularWeight: 359.82996

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)CSC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)CSC3=NNC(=N3)C4=CC=CC=C4

InChI

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