N-[3-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]phenyl]-2-pyrazol-1-yl-propanamide

Systemtic Name: N-[3-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]phenyl]-2-pyrazol-1-yl-propanamide Openeye Name: N-[3-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]phenyl]-2-pyrazol-1-yl-propanamide CAS Name: N-[3-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]phenyl]-2-(1-pyrazolyl)propanamide IUPAC Name: N-[3-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]phenyl]-2-pyrazol-1-ylpropanamide Traditional Name: N-[3-[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]phenyl]-2-pyrazol-1-yl-propionamide Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)NC(=O)CCSCC(=O)N)N2C=CC=N2

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)NC(=O)CCSCC(=O)N)N2C=CC=N2

InChI

InChI=1S/C17H21N5O3S/c1-12(22-8-3-7-19-22)17(25)21-14-5-2-4-13(10-14)20-16(24)6-9-26-11-15(18)23/h2-5,7-8,10,12H,6,9,11H2,1H3,(H2,18,23)(H,20,24)(H,21,25)