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

Systemtic Name: 2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chloranyl-4-methoxy-phenyl)ethanamide Openeye Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chloro-4-methoxy-phenyl)acetamide CAS Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-(3-chloro-4-methoxyphenyl)acetamide IUPAC Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chloro-4-methoxyphenyl)acetamide Traditional Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-(3-chloro-4-methoxy-phenyl)acetamide Formula: C12H14ClN5O2S MolecularWeight: 327.78986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CN2C(=NN=C2SC)N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CN2C(=NN=C2SC)N)Cl

InChI

InChI=1S/C12H14ClN5O2S/c1-20-9-4-3-7(5-8(9)13)15-10(19)6-18-11(14)16-17-12(18)21-2/h3-5H,6H2,1-2H3,(H2,14,16)(H,15,19)