4-(4-butylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(4-butylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-butylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-butylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-butylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-butylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H25N3O3S/c1-5-6-7-14-8-10-16(11-9-14)24-20(22-23-21(24)28)15-12-17(25-2)19(27-4)18(13-15)26-3/h8-13H,5-7H2,1-4H3,(H,23,28)