2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-ethanone CAS Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-morpholino-ethanone Formula: C22H21N5O2S3 MolecularWeight: 483.62944

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1COCCN1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H21N5O2S3/c28-20(26-10-12-29-13-11-26)15-30-21-25-24-19(27(21)16-6-2-1-3-7-16)14-31-22-23-17-8-4-5-9-18(17)32-22/h1-9H,10-15H2