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

Systemtic Name: 3-(4-methylphenyl)-5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(3-morpholinosulfonylphenyl)methylsulfanyl]-5-(p-tolyl)-1,2,4-triazol-4-amine CAS Name: 3-(4-methylphenyl)-5-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(4-methylphenyl)-5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(3-morpholinosulfonylbenzyl)thio]-5-(p-tolyl)-1,2,4-triazol-4-yl]amine Formula: C20H23N5O3S2 MolecularWeight: 445.55832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H23N5O3S2/c1-15-5-7-17(8-6-15)19-22-23-20(25(19)21)29-14-16-3-2-4-18(13-16)30(26,27)24-9-11-28-12-10-24/h2-8,13H,9-12,14,21H2,1H3