1-but-3-en-2-yl-3-[2-(2-cyanopyridin-4-yl)sulfanylphenyl]-1-methyl-urea

Systemtic Name: 1-but-3-en-2-yl-3-[2-(2-cyanopyridin-4-yl)sulfanylphenyl]-1-methyl-urea Openeye Name: 3-[2-[(2-cyano-4-pyridyl)sulfanyl]phenyl]-1-methyl-1-(1-methylallyl)urea CAS Name: 1-but-3-en-2-yl-3-[2-[(2-cyano-4-pyridinyl)thio]phenyl]-1-methylurea IUPAC Name: 1-but-3-en-2-yl-3-[2-(2-cyanopyridin-4-yl)sulfanylphenyl]-1-methylurea Traditional Name: 3-[2-[(2-cyano-4-pyridyl)thio]phenyl]-1-methyl-1-(1-methylallyl)urea Formula: C18H18N4OS MolecularWeight: 338.42672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C=C)N(C)C(=O)NC1=CC=CC=C1SC2=CC(=NC=C2)C#N

Isomeric SMILES

CC(C=C)N(C)C(=O)NC1=CC=CC=C1SC2=CC(=NC=C2)C#N

InChI

InChI=1S/C18H18N4OS/c1-4-13(2)22(3)18(23)21-16-7-5-6-8-17(16)24-15-9-10-20-14(11-15)12-19/h4-11,13H,1H2,2-3H3,(H,21,23)