N,N-bis(cyanomethyl)-2-ethylsulfanyl-benzamide

Systemtic Name: N,N-bis(cyanomethyl)-2-ethylsulfanyl-benzamide Openeye Name: N,N-bis(cyanomethyl)-2-ethylsulfanyl-benzamide CAS Name: N,N-bis(cyanomethyl)-2-(ethylthio)benzamide IUPAC Name: N,N-bis(cyanomethyl)-2-ethylsulfanylbenzamide Traditional Name: N,N-bis(cyanomethyl)-2-(ethylthio)benzamide Formula: C13H13N3OS MolecularWeight: 259.32682

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)N(CC#N)CC#N

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)N(CC#N)CC#N

InChI

InChI=1S/C13H13N3OS/c1-2-18-12-6-4-3-5-11(12)13(17)16(9-7-14)10-8-15/h3-6H,2,9-10H2,1H3