(3S)-3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-N-methyl-1,3-dihydropyrazole-2-carbothioamide

Systemtic Name: (3S)-3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-N-methyl-1,3-dihydropyrazole-2-carbothioamide Openeye Name: (3S)-3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-N-methyl-1,3-dihydropyrazole-2-carbothioamide CAS Name: (3S)-3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-N-methyl-1,3-dihydropyrazole-2-carbothioamide IUPAC Name: (3S)-3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-N-methyl-1,3-dihydropyrazole-2-carbothioamide Traditional Name: (5S)-5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-methyl-3-pyrazoline-1-carbothioamide Formula: C18H17Cl2N3OS MolecularWeight: 394.31808

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1C(C=C(N1)C2=CC=C(C=C2)OC)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CNC(=S)N1[C@@H](C=C(N1)C2=CC=C(C=C2)OC)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H17Cl2N3OS/c1-21-18(25)23-17(14-8-5-12(19)9-15(14)20)10-16(22-23)11-3-6-13(24-2)7-4-11/h3-10,17,22H,1-2H3,(H,21,25)/t17-/m0/s1