3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazole IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazole Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC2=CC=CC=C2)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN1C(=NN=C1SCCOC2=CC=CC=C2)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H21N3O3S/c1-23-19(15-8-9-17-18(14-15)26-11-5-10-25-17)21-22-20(23)27-13-12-24-16-6-3-2-4-7-16/h2-4,6-9,14H,5,10-13H2,1H3