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

Systemtic Name: 3-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2=NNC(=S)N2C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCC(CC1)CC2=NNC(=S)N2C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C17H21N3O2S/c23-17-19-18-16(10-12-4-2-1-3-5-12)20(17)13-6-7-14-15(11-13)22-9-8-21-14/h6-7,11-12H,1-5,8-10H2,(H,19,23)