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

Systemtic Name: 2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(6-chloranyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-(6-chloro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-(6-chloro-1,3-benzothiazol-2-yl)butyramide Formula: C14H15ClN6OS2 MolecularWeight: 382.8915

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)N3C(=NN=C3SC)N

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)N3C(=NN=C3SC)N

InChI

InChI=1S/C14H15ClN6OS2/c1-3-9(21-12(16)19-20-14(21)23-2)11(22)18-13-17-8-5-4-7(15)6-10(8)24-13/h4-6,9H,3H2,1-2H3,(H2,16,19)(H,17,18,22)