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

Systemtic Name: 3-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(3-morpholinosulfonylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(3-morpholinosulfonylbenzyl)thio]-1H-1,2,4-triazol-5-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=NNC(=N3)N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC3=NNC(=N3)N

InChI

InChI=1S/C13H17N5O3S2/c14-12-15-13(17-16-12)22-9-10-2-1-3-11(8-10)23(19,20)18-4-6-21-7-5-18/h1-3,8H,4-7,9H2,(H3,14,15,16,17)