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

Systemtic Name: S-methyl 5-azanyl-3-methyl-1-phenyl-pyrazole-4-carbothioate Openeye Name: S-methyl 5-amino-3-methyl-1-phenyl-pyrazole-4-carbothioate CAS Name: 5-amino-3-methyl-1-phenyl-4-pyrazolecarbothioic acid S-methyl ester IUPAC Name: S-methyl 5-amino-3-methyl-1-phenylpyrazole-4-carbothioate Traditional Name: 5-amino-3-methyl-1-phenyl-pyrazole-4-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(=C1C(=O)SC)N)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C(=O)SC)N)C2=CC=CC=C2

InChI

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