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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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