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

Systemtic Name: 2-[[4-azanyl-5-(3-chloranyl-1-benzothiophen-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[4-amino-5-(3-chlorobenzothiophen-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[4-amino-5-(3-chloro-1-benzothiophen-2-yl)-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[4-amino-5-(3-chloro-1-benzothiophen-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[4-amino-5-(3-chlorobenzothiophen-2-yl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C18H20ClN5OS2 MolecularWeight: 421.9673

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NN=C(N2N)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NN=C(N2N)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C18H20ClN5OS2/c19-15-12-8-4-5-9-13(12)27-16(15)17-22-23-18(24(17)20)26-10-14(25)21-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10,20H2,(H,21,25)