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

Systemtic Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]ethanamide Openeye Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-morpholinosulfonylphenyl)methyl]acetamide CAS Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[[4-(4-morpholinylsulfonyl)phenyl]methyl]acetamide IUPAC Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide Traditional Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-morpholinosulfonylbenzyl)acetamide Formula: C18H23N5O4S2 MolecularWeight: 437.53632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=NN=C2SCC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CC1N2C=NN=C2SCC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C18H23N5O4S2/c24-17(12-28-18-21-20-13-23(18)15-3-4-15)19-11-14-1-5-16(6-2-14)29(25,26)22-7-9-27-10-8-22/h1-2,5-6,13,15H,3-4,7-12H2,(H,19,24)