4-[3-(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-4-methyl-phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-4-methyl-phenyl]sulfonylmorpholine Openeye Name: 4-[3-(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-4-methyl-phenyl]sulfonylmorpholine CAS Name: 4-[3-[5-(ethylthio)-4-phenyl-1,2,4-triazol-3-yl]-4-methylphenyl]sulfonylmorpholine IUPAC Name: 4-[3-(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-4-methylphenyl]sulfonylmorpholine Traditional Name: 4-[3-[5-(ethylthio)-4-phenyl-1,2,4-triazol-3-yl]-4-methyl-phenyl]sulfonylmorpholine Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2=CC=CC=C2)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)C

Isomeric SMILES

CCSC1=NN=C(N1C2=CC=CC=C2)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)C

InChI

InChI=1S/C21H24N4O3S2/c1-3-29-21-23-22-20(25(21)17-7-5-4-6-8-17)19-15-18(10-9-16(19)2)30(26,27)24-11-13-28-14-12-24/h4-10,15H,3,11-14H2,1-2H3