1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanol

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanol Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[4-methyl-5-(2-naphthyl)-1,2,4-triazol-3-yl]sulfanyl]ethanol CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[4-methyl-5-(2-naphthalenyl)-1,2,4-triazol-3-yl]thio]ethanol IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanol Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[4-methyl-5-(2-naphthyl)-1,2,4-triazol-3-yl]thio]ethanol Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(C2=CC3=C(C=C2)OCCCO3)O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CN1C(=NN=C1SCC(C2=CC3=C(C=C2)OCCCO3)O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C24H23N3O3S/c1-27-23(19-8-7-16-5-2-3-6-17(16)13-19)25-26-24(27)31-15-20(28)18-9-10-21-22(14-18)30-12-4-11-29-21/h2-3,5-10,13-14,20,28H,4,11-12,15H2,1H3