N,N-bis(cyanomethyl)-2-methoxy-4-methylsulfanyl-benzamide

Systemtic Name: N,N-bis(cyanomethyl)-2-methoxy-4-methylsulfanyl-benzamide Openeye Name: N,N-bis(cyanomethyl)-2-methoxy-4-methylsulfanyl-benzamide CAS Name: N,N-bis(cyanomethyl)-2-methoxy-4-(methylthio)benzamide IUPAC Name: N,N-bis(cyanomethyl)-2-methoxy-4-methylsulfanylbenzamide Traditional Name: N,N-bis(cyanomethyl)-2-methoxy-4-(methylthio)benzamide Formula: C13H13N3O2S MolecularWeight: 275.32622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N(CC#N)CC#N

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N(CC#N)CC#N

InChI

InChI=1S/C13H13N3O2S/c1-18-12-9-10(19-2)3-4-11(12)13(17)16(7-5-14)8-6-15/h3-4,9H,7-8H2,1-2H3