3-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC2=NNC(=S)N2C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCC(CC1)CCC2=NNC(=S)N2C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H23N3O2S/c24-18-20-19-17(9-6-13-4-2-1-3-5-13)21(18)14-7-8-15-16(12-14)23-11-10-22-15/h7-8,12-13H,1-6,9-11H2,(H,20,24)