S-methyl 5-azanyl-3-methyl-4-phenyl-pyrazole-1-carbothioate

Systemtic Name: S-methyl 5-azanyl-3-methyl-4-phenyl-pyrazole-1-carbothioate Openeye Name: S-methyl 5-amino-3-methyl-4-phenyl-pyrazole-1-carbothioate CAS Name: 5-amino-3-methyl-4-phenyl-1-pyrazolecarbothioic acid S-methyl ester IUPAC Name: S-methyl 5-amino-3-methyl-4-phenylpyrazole-1-carbothioate Traditional Name: 5-amino-3-methyl-4-phenyl-pyrazole-1-carbothioic acid S-methyl ester Formula: C12H13N3OS MolecularWeight: 247.31612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2=CC=CC=C2)N)C(=O)SC

Isomeric SMILES

CC1=NN(C(=C1C2=CC=CC=C2)N)C(=O)SC

InChI

InChI=1S/C12H13N3OS/c1-8-10(9-6-4-3-5-7-9)11(13)15(14-8)12(16)17-2/h3-7H,13H2,1-2H3