N-(1,3-benzothiazol-2-yl)-2-[[4-ethyl-5-[(phenylmethylsulfanyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[[4-ethyl-5-[(phenylmethylsulfanyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[[5-(benzylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[4-ethyl-5-[(phenylmethylthio)methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[[5-(benzylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[[5-[(benzylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H21N5OS3 MolecularWeight: 455.61934

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=NC3=CC=CC=C3S2)CSCC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=NC3=CC=CC=C3S2)CSCC4=CC=CC=C4

InChI

InChI=1S/C21H21N5OS3/c1-2-26-18(13-28-12-15-8-4-3-5-9-15)24-25-21(26)29-14-19(27)23-20-22-16-10-6-7-11-17(16)30-20/h3-11H,2,12-14H2,1H3,(H,22,23,27)