N5-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

Systemtic Name: N5-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide Openeye Name: N5-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide CAS Name: N5-[2-[(2-cyanophenyl)methylthio]ethyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide IUPAC Name: 5-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-1-phenyl-2-pyrazoline-3,5-dicarboxamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C(=O)NCCSCC2=CC=CC=C2C#N)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1C(N(N=C1C(=O)NCCSCC2=CC=CC=C2C#N)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C21H21N5O2S/c22-13-15-6-4-5-7-16(15)14-29-11-10-24-21(28)18-12-19(20(23)27)26(25-18)17-8-2-1-3-9-17/h1-9,19H,10-12,14H2,(H2,23,27)(H,24,28)