4-phenyl-3-(4-propoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-phenyl-3-(4-propoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-phenyl-3-(4-propoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-phenyl-3-(4-propoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-phenyl-3-(4-propoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-phenyl-3-(4-propoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NNC(=S)N2C3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NNC(=S)N2C3=CC=CC=C3

InChI

InChI=1S/C17H17N3OS/c1-2-12-21-15-10-8-13(9-11-15)16-18-19-17(22)20(16)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,19,22)