N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-propanamide

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-propanamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-(2-amino-2-oxo-ethyl)sulfanyl-propanamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-3-[(2-amino-2-oxoethyl)thio]propanamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(2-amino-2-oxoethyl)sulfanylpropanamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-[(2-amino-2-keto-ethyl)thio]propionamide Formula: C18H22N6O2S MolecularWeight: 386.47128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)CCSCC(=O)N)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)CCSCC(=O)N)C#N)N

InChI

InChI=1S/C18H22N6O2S/c19-11-14-15(23-24(18(14)21)13-5-2-1-3-6-13)7-4-9-22-17(26)8-10-27-12-16(20)25/h1-3,5-6H,4,7-10,12,21H2,(H2,20,25)(H,22,26)