5-(4-chlorophenyl)-4-methyl-4-(3-methylsulfanylpropyl)-N-(4-nitrophenyl)-3H-pyrazole-2-carboxamide

Systemtic Name: 5-(4-chlorophenyl)-4-methyl-4-(3-methylsulfanylpropyl)-N-(4-nitrophenyl)-3H-pyrazole-2-carboxamide Openeye Name: 5-(4-chlorophenyl)-4-methyl-4-(3-methylsulfanylpropyl)-N-(4-nitrophenyl)-3H-pyrazole-2-carboxamide CAS Name: 5-(4-chlorophenyl)-4-methyl-4-[3-(methylthio)propyl]-N-(4-nitrophenyl)-3H-pyrazole-2-carboxamide IUPAC Name: 5-(4-chlorophenyl)-4-methyl-4-(3-methylsulfanylpropyl)-N-(4-nitrophenyl)-3H-pyrazole-2-carboxamide Traditional Name: 3-(4-chlorophenyl)-4-methyl-4-[3-(methylthio)propyl]-N-(4-nitrophenyl)-2-pyrazoline-1-carboxamide Formula: C21H23ClN4O3S MolecularWeight: 446.95032

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])CCCSC

Isomeric SMILES

CC1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])CCCSC

InChI

InChI=1S/C21H23ClN4O3S/c1-21(12-3-13-30-2)14-25(24-19(21)15-4-6-16(22)7-5-15)20(27)23-17-8-10-18(11-9-17)26(28)29/h4-11H,3,12-14H2,1-2H3,(H,23,27)