2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-propanamide

Systemtic Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-propanamide Openeye Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-propanamide CAS Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-methyl-N-phenylpropanamide IUPAC Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide Traditional Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-methyl-N-phenyl-propionamide Formula: C22H23N5OS3 MolecularWeight: 469.64592

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)N(C)C2=CC=CC=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)N(C)C2=CC=CC=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N5OS3/c1-4-27-19(14-29-22-23-17-12-8-9-13-18(17)31-22)24-25-21(27)30-15(2)20(28)26(3)16-10-6-5-7-11-16/h5-13,15H,4,14H2,1-3H3