5-azanyl-1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-3-methylsulfanyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-3-methylsulfanyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-methylsulfanyl-1-[2-oxo-2-(p-tolyl)ethyl]pyrazole-4-carbonitrile CAS Name: 5-amino-1-[2-(4-methylphenyl)-2-oxoethyl]-3-(methylthio)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[2-(4-methylphenyl)-2-oxoethyl]-3-methylsulfanylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-[2-keto-2-(p-tolyl)ethyl]-3-(methylthio)pyrazole-4-carbonitrile Formula: C14H14N4OS MolecularWeight: 286.35216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C(=C(C(=N2)SC)C#N)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C(=C(C(=N2)SC)C#N)N

InChI

InChI=1S/C14H14N4OS/c1-9-3-5-10(6-4-9)12(19)8-18-13(16)11(7-15)14(17-18)20-2/h3-6H,8,16H2,1-2H3