5-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-(morpholinomethyl)-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-(4-morpholinylmethyl)-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-(morpholinomethyl)-4-phenyl-1,2,4-triazole-3-thiolate Formula: C13H15N4OS- MolecularWeight: 275.3494

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=NN=C(N2C3=CC=CC=C3)[S-]

Isomeric SMILES

C1COCCN1CC2=NN=C(N2C3=CC=CC=C3)[S-]

InChI

InChI=1S/C13H16N4OS/c19-13-15-14-12(10-16-6-8-18-9-7-16)17(13)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,19)/p-1