3-(hydroxymethyl)-4-(3-phenylpropyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(hydroxymethyl)-4-(3-phenylpropyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(hydroxymethyl)-4-(3-phenylpropyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(hydroxymethyl)-4-(3-phenylpropyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(hydroxymethyl)-4-(3-phenylpropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-methylol-4-(3-phenylpropyl)-1H-1,2,4-triazole-5-thione Formula: C12H15N3OS MolecularWeight: 249.332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C(=NNC2=S)CO

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C(=NNC2=S)CO

InChI

InChI=1S/C12H15N3OS/c16-9-11-13-14-12(17)15(11)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,16H,4,7-9H2,(H,14,17)