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

Systemtic Name: 2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(6-chloranyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-(6-chloro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-(6-chloro-1,3-benzothiazol-2-yl)butyramide Formula: C15H17ClN6OS2 MolecularWeight: 396.91808

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)N3C(=NN=C3SCC)N

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)N3C(=NN=C3SCC)N

InChI

InChI=1S/C15H17ClN6OS2/c1-3-10(22-13(17)20-21-15(22)24-4-2)12(23)19-14-18-9-6-5-8(16)7-11(9)25-14/h5-7,10H,3-4H2,1-2H3,(H2,17,20)(H,18,19,23)