2-[[4-azanyl-5-(3-chloranyl-1-benzothiophen-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-butyl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-(3-chloranyl-1-benzothiophen-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-butyl-ethanamide Openeye Name: 2-[[4-amino-5-(3-chlorobenzothiophen-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-butyl-acetamide CAS Name: 2-[[4-amino-5-(3-chloro-1-benzothiophen-2-yl)-1,2,4-triazol-3-yl]thio]-N-butylacetamide IUPAC Name: 2-[[4-amino-5-(3-chloro-1-benzothiophen-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-butylacetamide Traditional Name: 2-[[4-amino-5-(3-chlorobenzothiophen-2-yl)-1,2,4-triazol-3-yl]thio]-N-butyl-acetamide Formula: C16H18ClN5OS2 MolecularWeight: 395.93002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NN=C(N1N)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCCNC(=O)CSC1=NN=C(N1N)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C16H18ClN5OS2/c1-2-3-8-19-12(23)9-24-16-21-20-15(22(16)18)14-13(17)10-6-4-5-7-11(10)25-14/h4-7H,2-3,8-9,18H2,1H3,(H,19,23)