2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(6-chloranyl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(6-chloranyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(6-chloro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(6-chloro-1,3-benzothiazol-2-yl)butyramide Formula: C21H21ClN6OS2 MolecularWeight: 473.01404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)N3C(=NN=C3SCCC4=CC=CC=C4)N

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)N3C(=NN=C3SCCC4=CC=CC=C4)N

InChI

InChI=1S/C21H21ClN6OS2/c1-2-16(18(29)25-20-24-15-9-8-14(22)12-17(15)31-20)28-19(23)26-27-21(28)30-11-10-13-6-4-3-5-7-13/h3-9,12,16H,2,10-11H2,1H3,(H2,23,26)(H,24,25,29)