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

Systemtic Name: 2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chloranyl-4-methoxy-phenyl)butanamide Openeye Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chloro-4-methoxy-phenyl)butanamide CAS Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-(3-chloro-4-methoxyphenyl)butanamide IUPAC Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chloro-4-methoxyphenyl)butanamide Traditional Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-(3-chloro-4-methoxy-phenyl)butyramide Formula: C14H18ClN5O2S MolecularWeight: 355.84302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)OC)Cl)N2C(=NN=C2SC)N

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)OC)Cl)N2C(=NN=C2SC)N

InChI

InChI=1S/C14H18ClN5O2S/c1-4-10(20-13(16)18-19-14(20)23-3)12(21)17-8-5-6-11(22-2)9(15)7-8/h5-7,10H,4H2,1-3H3,(H2,16,18)(H,17,21)