5-azanyl-3-[(4-chlorophenyl)methylsulfanyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[(4-chlorophenyl)methylsulfanyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(4-chlorophenyl)methylsulfanyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(4-chlorophenyl)methylthio]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(4-chlorophenyl)methylsulfanyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(4-chlorobenzyl)thio]-1-phenyl-pyrazole-4-carbonitrile Formula: C17H13ClN4S MolecularWeight: 340.82992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)SCC3=CC=C(C=C3)Cl)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)SCC3=CC=C(C=C3)Cl)C#N)N

InChI

InChI=1S/C17H13ClN4S/c18-13-8-6-12(7-9-13)11-23-17-15(10-19)16(20)22(21-17)14-4-2-1-3-5-14/h1-9H,11,20H2