4-(phenylmethyl)-5-propyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(phenylmethyl)-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-benzyl-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-(phenylmethyl)-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-benzyl-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-benzyl-5-propyl-1,2,4-triazole-3-thiolate Formula: C12H14N3S- MolecularWeight: 232.32466

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC2=CC=CC=C2)[S-]

Isomeric SMILES

CCCC1=NN=C(N1CC2=CC=CC=C2)[S-]

InChI

InChI=1S/C12H15N3S/c1-2-6-11-13-14-12(16)15(11)9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3,(H,14,16)/p-1