2-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[(2-pyrazol-1-ylpyridin-3-yl)methylamino]butan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[(2-pyrazol-1-ylpyridin-3-yl)methylamino]butan-2-yl]benzamide Openeye Name: 2-chloro-N-[3-methylsulfanyl-1-[(2-pyrazol-1-yl-3-pyridyl)methylcarbamoyl]propyl]benzamide CAS Name: 2-chloro-N-[4-(methylthio)-1-oxo-1-[[2-(1-pyrazolyl)-3-pyridinyl]methylamino]butan-2-yl]benzamide IUPAC Name: 2-chloro-N-[4-methylsulfanyl-1-oxo-1-[(2-pyrazol-1-ylpyridin-3-yl)methylamino]butan-2-yl]benzamide Traditional Name: 2-chloro-N-[3-(methylthio)-1-[(2-pyrazol-1-yl-3-pyridyl)methylcarbamoyl]propyl]benzamide Formula: C21H22ClN5O2S MolecularWeight: 443.94968

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=C(N=CC=C1)N2C=CC=N2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CSCCC(C(=O)NCC1=C(N=CC=C1)N2C=CC=N2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H22ClN5O2S/c1-30-13-9-18(26-20(28)16-7-2-3-8-17(16)22)21(29)24-14-15-6-4-10-23-19(15)27-12-5-11-25-27/h2-8,10-12,18H,9,13-14H2,1H3,(H,24,29)(H,26,28)