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

Systemtic Name: 4-(2-chlorophenyl)-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(2-chlorophenyl)-5-(3-morpholinosulfonylphenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(2-chlorophenyl)-5-[3-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2-chlorophenyl)-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(2-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=C4Cl)[S-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=CC=C4Cl)[S-]

InChI

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