3-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one

Systemtic Name: 3-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: 3-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: 3-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: 3-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C18H21N5OS3 MolecularWeight: 419.58724

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2CCCCNC2=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN1C(=NN=C1SC2CCCCNC2=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H21N5OS3/c1-2-23-15(11-25-18-20-12-7-3-4-8-13(12)27-18)21-22-17(23)26-14-9-5-6-10-19-16(14)24/h3-4,7-8,14H,2,5-6,9-11H2,1H3,(H,19,24)