N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[4-(2-phenylsulfanylethanoylamino)pyrazol-1-yl]ethanamide

Systemtic Name: N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[4-(2-phenylsulfanylethanoylamino)pyrazol-1-yl]ethanamide Openeye Name: N-[(2-methylthiazol-4-yl)methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide CAS Name: N-[(2-methyl-4-thiazolyl)methyl]-2-[4-[[1-oxo-2-(phenylthio)ethyl]amino]-1-pyrazolyl]acetamide IUPAC Name: N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide Traditional Name: N-[(2-methylthiazol-4-yl)methyl]-2-[4-[[2-(phenylthio)acetyl]amino]pyrazol-1-yl]acetamide Formula: C18H19N5O2S2 MolecularWeight: 401.50576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CNC(=O)CN2C=C(C=N2)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CS1)CNC(=O)CN2C=C(C=N2)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C18H19N5O2S2/c1-13-21-15(11-26-13)7-19-17(24)10-23-9-14(8-20-23)22-18(25)12-27-16-5-3-2-4-6-16/h2-6,8-9,11H,7,10,12H2,1H3,(H,19,24)(H,22,25)