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

Systemtic Name: 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]ethanamide Openeye Name: 2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-morpholinosulfonylphenyl)methyl]acetamide CAS Name: 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-[[4-(4-morpholinylsulfonyl)phenyl]methyl]acetamide IUPAC Name: 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide Traditional Name: 2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(4-morpholinosulfonylbenzyl)acetamide Formula: C20H23N5O4S3 MolecularWeight: 493.62272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CS4

InChI

InChI=1S/C20H23N5O4S3/c1-24-19(17-3-2-12-30-17)22-23-20(24)31-14-18(26)21-13-15-4-6-16(7-5-15)32(27,28)25-8-10-29-11-9-25/h2-7,12H,8-11,13-14H2,1H3,(H,21,26)