2-[[4-azanyl-5-(1,3-benzothiazol-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-(1,3-benzothiazol-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-ethanamide Openeye Name: 2-[[4-amino-5-(1,3-benzothiazol-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-acetamide CAS Name: 2-[[4-amino-5-(1,3-benzothiazol-2-ylmethylthio)-1,2,4-triazol-3-yl]thio]-N,N-diethylacetamide IUPAC Name: 2-[[4-amino-5-(1,3-benzothiazol-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide Traditional Name: 2-[[4-amino-5-(1,3-benzothiazol-2-ylmethylthio)-1,2,4-triazol-3-yl]thio]-N,N-diethyl-acetamide Formula: C16H20N6OS3 MolecularWeight: 408.5646

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NN=C(N1N)SCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCN(CC)C(=O)CSC1=NN=C(N1N)SCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H20N6OS3/c1-3-21(4-2)14(23)10-25-16-20-19-15(22(16)17)24-9-13-18-11-7-5-6-8-12(11)26-13/h5-8H,3-4,9-10,17H2,1-2H3