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

Systemtic Name: 3-cyclopropyl-5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-cyclopropyl-5-[(3-morpholinosulfonylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-cyclopropyl-5-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-cyclopropyl-5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-cyclopropyl-5-[(3-morpholinosulfonylbenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C16H21N5O3S2 MolecularWeight: 395.49964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C16H21N5O3S2/c17-21-15(13-4-5-13)18-19-16(21)25-11-12-2-1-3-14(10-12)26(22,23)20-6-8-24-9-7-20/h1-3,10,13H,4-9,11,17H2