4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)-N-(3-nitrophenyl)pyrimidin-2-amine

Systemtic Name: 4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)-N-(3-nitrophenyl)pyrimidin-2-amine Openeye Name: 4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)-N-(3-nitrophenyl)pyrimidin-2-amine CAS Name: 4-[5-methyl-3-(methylthio)-1-phenyl-4-pyrazolyl]-N-(3-nitrophenyl)-2-pyrimidinamine IUPAC Name: 4-(5-methyl-3-methylsulfanyl-1-phenylpyrazol-4-yl)-N-(3-nitrophenyl)pyrimidin-2-amine Traditional Name: [4-[5-methyl-3-(methylthio)-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]-(3-nitrophenyl)amine Formula: C21H18N6O2S MolecularWeight: 418.47162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)SC)C3=NC(=NC=C3)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)SC)C3=NC(=NC=C3)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O2S/c1-14-19(20(30-2)25-26(14)16-8-4-3-5-9-16)18-11-12-22-21(24-18)23-15-7-6-10-17(13-15)27(28)29/h3-13H,1-2H3,(H,22,23,24)