N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-(thiazol-4-ylmethylsulfanyl)benzamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-2-(4-thiazolylmethylthio)benzamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-(thiazol-4-ylmethylthio)benzamide Formula: C24H22N6OS2 MolecularWeight: 474.60108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)C3=CC=CC=C3SCC4=CSC=N4)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)C3=CC=CC=C3SCC4=CSC=N4)C#N)N

InChI

InChI=1S/C24H22N6OS2/c25-13-20-21(29-30(23(20)26)18-7-2-1-3-8-18)10-6-12-27-24(31)19-9-4-5-11-22(19)33-15-17-14-32-16-28-17/h1-5,7-9,11,14,16H,6,10,12,15,26H2,(H,27,31)