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

Systemtic Name: 4-cyclopropyl-3-[(3,4-diethoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-cyclopropyl-3-[(3,4-diethoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-cyclopropyl-3-[(3,4-diethoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-cyclopropyl-3-[(3,4-diethoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-cyclopropyl-3-(3,4-diethoxybenzyl)-1H-1,2,4-triazole-5-thione Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC2=NNC(=S)N2C3CC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC2=NNC(=S)N2C3CC3)OCC

InChI

InChI=1S/C16H21N3O2S/c1-3-20-13-8-5-11(9-14(13)21-4-2)10-15-17-18-16(22)19(15)12-6-7-12/h5,8-9,12H,3-4,6-7,10H2,1-2H3,(H,18,22)