3-[(3,4-diethoxyphenyl)methyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(3,4-diethoxyphenyl)methyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(3,4-diethoxyphenyl)methyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(3,4-diethoxyphenyl)methyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(3,4-diethoxyphenyl)methyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(3,4-diethoxybenzyl)-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC2=NNC(=S)N2CCCOC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC2=NNC(=S)N2CCCOC)OCC

InChI

InChI=1S/C17H25N3O3S/c1-4-22-14-8-7-13(11-15(14)23-5-2)12-16-18-19-17(24)20(16)9-6-10-21-3/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,19,24)