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

Systemtic Name: N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-4-(3-methylsulfanylpropyl)-N-(2-nitrophenyl)sulfanyl-3H-pyrazole-2-carboxamide Openeye Name: N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-4-(3-methylsulfanylpropyl)-N-(2-nitrophenyl)sulfanyl-3H-pyrazole-2-carboxamide CAS Name: N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-4-[3-(methylthio)propyl]-N-[(2-nitrophenyl)thio]-3H-pyrazole-2-carboxamide IUPAC Name: N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-4-(3-methylsulfanylpropyl)-N-(2-nitrophenyl)sulfanyl-3H-pyrazole-2-carboxamide Traditional Name: N-(4-bromophenyl)-3-(4-chlorophenyl)-4-methyl-4-[3-(methylthio)propyl]-N-[(2-nitrophenyl)thio]-2-pyrazoline-1-carboxamide Formula: C27H26BrClN4O3S2 MolecularWeight: 634.00734

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)N(C3=CC=C(C=C3)Br)SC4=CC=CC=C4[N+](=O)[O-])CCCSC

Isomeric SMILES

CC1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)N(C3=CC=C(C=C3)Br)SC4=CC=CC=C4[N+](=O)[O-])CCCSC

InChI

InChI=1S/C27H26BrClN4O3S2/c1-27(16-5-17-37-2)18-31(30-25(27)19-8-12-21(29)13-9-19)26(34)32(22-14-10-20(28)11-15-22)38-24-7-4-3-6-23(24)33(35)36/h3-4,6-15H,5,16-18H2,1-2H3