N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-1-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H17N5O3S/c21-13-15-4-1-2-5-16(15)14-29-11-9-22-20(26)19-8-10-24(23-19)17-6-3-7-18(12-17)25(27)28/h1-8,10,12H,9,11,14H2,(H,22,26)