1-(2-cyanoethyl)-3-(3-methylsulfanylphenyl)-1-(pyridin-3-ylmethyl)urea

Systemtic Name: 1-(2-cyanoethyl)-3-(3-methylsulfanylphenyl)-1-(pyridin-3-ylmethyl)urea Openeye Name: 1-(2-cyanoethyl)-3-(3-methylsulfanylphenyl)-1-(3-pyridylmethyl)urea CAS Name: 1-(2-cyanoethyl)-3-[3-(methylthio)phenyl]-1-(3-pyridinylmethyl)urea IUPAC Name: 1-(2-cyanoethyl)-3-(3-methylsulfanylphenyl)-1-(pyridin-3-ylmethyl)urea Traditional Name: 1-(2-cyanoethyl)-3-[3-(methylthio)phenyl]-1-(3-pyridylmethyl)urea Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)N(CCC#N)CC2=CN=CC=C2

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)N(CCC#N)CC2=CN=CC=C2

InChI

InChI=1S/C17H18N4OS/c1-23-16-7-2-6-15(11-16)20-17(22)21(10-4-8-18)13-14-5-3-9-19-12-14/h2-3,5-7,9,11-12H,4,10,13H2,1H3,(H,20,22)