5-azanyl-3-(phenylmethylsulfanyl)-1H-pyrazole-4-carboxamide

Systemtic Name: 5-azanyl-3-(phenylmethylsulfanyl)-1H-pyrazole-4-carboxamide Openeye Name: 5-amino-3-benzylsulfanyl-1H-pyrazole-4-carboxamide CAS Name: 5-amino-3-(phenylmethylthio)-1H-pyrazole-4-carboxamide IUPAC Name: 5-amino-3-benzylsulfanyl-1H-pyrazole-4-carboxamide Traditional Name: 5-amino-3-(benzylthio)-1H-pyrazole-4-carboxamide Formula: C11H12N4OS MolecularWeight: 248.30418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=C2C(=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=C2C(=O)N)N

InChI

InChI=1S/C11H12N4OS/c12-9-8(10(13)16)11(15-14-9)17-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,13,16)(H3,12,14,15)