4-(furan-2-ylmethyl)-3-(3-morpholin-4-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(furan-2-ylmethyl)-3-(3-morpholin-4-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2-furylmethyl)-3-(3-morpholinosulfonylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(2-furanylmethyl)-3-[3-(4-morpholinylsulfonyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(furan-2-ylmethyl)-3-(3-morpholin-4-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2-furfuryl)-3-(3-morpholinosulfonylphenyl)-1H-1,2,4-triazole-5-thione Formula: C17H18N4O4S2 MolecularWeight: 406.47922

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C3=NNC(=S)N3CC4=CC=CO4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C3=NNC(=S)N3CC4=CC=CO4

InChI

InChI=1S/C17H18N4O4S2/c22-27(23,20-6-9-24-10-7-20)15-5-1-3-13(11-15)16-18-19-17(26)21(16)12-14-4-2-8-25-14/h1-5,8,11H,6-7,9-10,12H2,(H,19,26)