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

Systemtic Name: 3-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(3-morpholinosulfonylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(3-morpholinosulfonylbenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C13H17N5O3S2 MolecularWeight: 355.43578

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC3=NN=CN3N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC3=NN=CN3N

InChI

InChI=1S/C13H17N5O3S2/c14-18-10-15-16-13(18)22-9-11-2-1-3-12(8-11)23(19,20)17-4-6-21-7-5-17/h1-3,8,10H,4-7,9,14H2