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

Systemtic Name: 3-(4-chlorophenyl)-5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(4-chlorophenyl)-5-[(3-morpholinosulfonylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(4-chlorophenyl)-5-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(4-chlorophenyl)-5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(4-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=C(C=C4)Cl

Isomeric SMILES

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

InChI

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