3-(3-chlorophenyl)-5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(3-chlorophenyl)-5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(3-chlorophenyl)-5-[(3-morpholinosulfonylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(3-chlorophenyl)-5-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(3-chlorophenyl)-5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(3-chlorophenyl)-5-[(3-morpholinosulfonylbenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C19H20ClN5O3S2 MolecularWeight: 465.9768

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC3=NN=C(N3N)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC3=NN=C(N3N)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H20ClN5O3S2/c20-16-5-2-4-15(12-16)18-22-23-19(25(18)21)29-13-14-3-1-6-17(11-14)30(26,27)24-7-9-28-10-8-24/h1-6,11-12H,7-10,13,21H2