2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]ethanamide

Systemtic Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]ethanamide Openeye Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-morpholinosulfonylphenyl)methyl]acetamide CAS Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-N-[[4-(4-morpholinylsulfonyl)phenyl]methyl]acetamide IUPAC Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide Traditional Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-morpholinosulfonylbenzyl)acetamide Formula: C16H21N5O4S2 MolecularWeight: 411.49904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=NC(=NN1)SCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C16H21N5O4S2/c1-12-18-16(20-19-12)26-11-15(22)17-10-13-2-4-14(5-3-13)27(23,24)21-6-8-25-9-7-21/h2-5H,6-11H2,1H3,(H,17,22)(H,18,19,20)