N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-nitro-benzamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-nitro-benzamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-nitrobenzamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-nitrobenzamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-3-nitro-benzamide Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3S/c18-11-14-4-1-2-5-15(14)12-24-9-8-19-17(21)13-6-3-7-16(10-13)20(22)23/h1-7,10H,8-9,12H2,(H,19,21)