4-phenyl-5-propyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-phenyl-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-phenyl-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-phenyl-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-phenyl-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-phenyl-5-propyl-1,2,4-triazole-3-thiolate Formula: C11H12N3S- MolecularWeight: 218.29808

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=CC=CC=C2)[S-]

Isomeric SMILES

CCCC1=NN=C(N1C2=CC=CC=C2)[S-]

InChI

InChI=1S/C11H13N3S/c1-2-6-10-12-13-11(15)14(10)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,13,15)/p-1