3-(3-morpholin-4-ylsulfonylphenyl)-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(3-morpholin-4-ylsulfonylphenyl)-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(3-morpholinosulfonylphenyl)-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[3-(4-morpholinylsulfonyl)phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(3-morpholin-4-ylsulfonylphenyl)-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(3-morpholinosulfonylphenyl)-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=NNC2=S)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC(C1=CC=CC=C1)N2C(=NNC2=S)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H22N4O3S2/c1-15(16-6-3-2-4-7-16)24-19(21-22-20(24)28)17-8-5-9-18(14-17)29(25,26)23-10-12-27-13-11-23/h2-9,14-15H,10-13H2,1H3,(H,22,28)