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

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3-methoxypropyl)-3-veratryl-1H-1,2,4-triazole-5-thione Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NNC1=S)CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

COCCCN1C(=NNC1=S)CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C15H21N3O3S/c1-19-8-4-7-18-14(16-17-15(18)22)10-11-5-6-12(20-2)13(9-11)21-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,22)