5-(4-chlorophenyl)-4-(3-ethoxypropyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(4-chlorophenyl)-4-(3-ethoxypropyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-chlorophenyl)-4-(3-ethoxypropyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(4-chlorophenyl)-4-(3-ethoxypropyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-chlorophenyl)-4-(3-ethoxypropyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-chlorophenyl)-4-(3-ethoxypropyl)-1,2,4-triazole-3-thiolate Formula: C13H15ClN3OS- MolecularWeight: 296.7957

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=NN=C1[S-])C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOCCCN1C(=NN=C1[S-])C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H16ClN3OS/c1-2-18-9-3-8-17-12(15-16-13(17)19)10-4-6-11(14)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,16,19)/p-1