2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-chloranyl-2-methyl-phenyl)ethanone

Systemtic Name: 2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-chloranyl-2-methyl-phenyl)ethanone Openeye Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-1-(5-chloro-2-methyl-phenyl)ethanone CAS Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-1-(5-chloro-2-methylphenyl)ethanone IUPAC Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-1-(5-chloro-2-methylphenyl)ethanone Traditional Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-1-(5-chloro-2-methyl-phenyl)ethanone Formula: C11H11ClN4OS MolecularWeight: 282.74924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)C(=O)CSC2=NN=CN2N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)C(=O)CSC2=NN=CN2N

InChI

InChI=1S/C11H11ClN4OS/c1-7-2-3-8(12)4-9(7)10(17)5-18-11-15-14-6-16(11)13/h2-4,6H,5,13H2,1H3