3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)CC3=NNC(=S)N3C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)CC3=NNC(=S)N3C4=CC=CC=C4)OC1

InChI

InChI=1S/C18H17N3O2S/c24-18-20-19-17(21(18)14-5-2-1-3-6-14)12-13-7-8-15-16(11-13)23-10-4-9-22-15/h1-3,5-8,11H,4,9-10,12H2,(H,20,24)