2-[4-(1-ethyl-5-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[4-(1-ethyl-5-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[4-(1-ethyl-5-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide CAS Name: 2-[[4-(1-ethyl-5-methyl-4-pyrazolyl)-2-pyrimidinyl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[4-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[4-(1-ethyl-5-methyl-pyrazol-4-yl)pyrimidin-2-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C2=NC(=NC=C2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=C(C=N1)C2=NC(=NC=C2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H18N6O3S/c1-3-23-12(2)15(10-20-23)16-7-8-19-18(22-16)28-11-17(25)21-13-5-4-6-14(9-13)24(26)27/h4-10H,3,11H2,1-2H3,(H,21,25)