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

Systemtic Name: 4-(3-chlorophenyl)-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(3-chlorophenyl)-5-(3-morpholinosulfonylphenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(3-chlorophenyl)-5-[3-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3-chlorophenyl)-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(3-chlorophenyl)-5-(3-morpholinosulfonylphenyl)-1,2,4-triazole-3-thiolate Formula: C18H16ClN4O3S2- MolecularWeight: 435.92764

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC(=CC=C4)Cl)[S-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC(=CC=C4)Cl)[S-]

InChI

InChI=1S/C18H17ClN4O3S2/c19-14-4-2-5-15(12-14)23-17(20-21-18(23)27)13-3-1-6-16(11-13)28(24,25)22-7-9-26-10-8-22/h1-6,11-12H,7-10H2,(H,21,27)/p-1