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

Systemtic Name: 2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chloranyl-4-methoxy-phenyl)propanamide Openeye Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chloro-4-methoxy-phenyl)propanamide CAS Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-(3-chloro-4-methoxyphenyl)propanamide IUPAC Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chloro-4-methoxyphenyl)propanamide Traditional Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-(3-chloro-4-methoxy-phenyl)propionamide Formula: C13H16ClN5O2S MolecularWeight: 341.81644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN5O2S/c1-7(19-12(15)17-18-13(19)22-3)11(20)16-8-4-5-10(21-2)9(14)6-8/h4-7H,1-3H3,(H2,15,17)(H,16,20)