4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-2-phenyl-1,3-thiazole

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-2-phenyl-1,3-thiazole Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-2-phenyl-thiazole CAS Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-2-phenylthiazole IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-2-phenyl-1,3-thiazole Traditional Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-2-phenyl-thiazole Formula: C19H17NO2S2 MolecularWeight: 355.47378

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=CSC(=N3)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=CSC(=N3)C4=CC=CC=C4)OC1

InChI

InChI=1S/C19H17NO2S2/c1-2-5-14(6-3-1)19-20-15(13-24-19)12-23-16-7-8-17-18(11-16)22-10-4-9-21-17/h1-3,5-8,11,13H,4,9-10,12H2