6-azanyl-2-[(2-chloranyl-1,3-thiazol-4-yl)methylsulfanyl]-5-isocyano-4-[4-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile

Systemtic Name: 6-azanyl-2-[(2-chloranyl-1,3-thiazol-4-yl)methylsulfanyl]-5-isocyano-4-[4-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile Openeye Name: 6-amino-2-[(2-chlorothiazol-4-yl)methylsulfanyl]-5-isocyano-4-[4-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile CAS Name: 6-amino-2-[(2-chloro-4-thiazolyl)methylthio]-5-isocyano-4-[4-(2-methoxyethoxy)phenyl]-3-pyridinecarbonitrile IUPAC Name: 6-amino-2-[(2-chloro-1,3-thiazol-4-yl)methylsulfanyl]-5-isocyano-4-[4-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile Traditional Name: 6-amino-2-[(2-chlorothiazol-4-yl)methylthio]-5-isocyano-4-[4-(2-methoxyethoxy)phenyl]nicotinonitrile Formula: C20H16ClN5O2S2 MolecularWeight: 457.95634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC=C(C=C1)C2=C(C(=NC(=C2[N+]#[C-])N)SCC3=CSC(=N3)Cl)C#N

Isomeric SMILES

COCCOC1=CC=C(C=C1)C2=C(C(=NC(=C2[N+]#[C-])N)SCC3=CSC(=N3)Cl)C#N

InChI

InChI=1S/C20H16ClN5O2S2/c1-24-17-16(12-3-5-14(6-4-12)28-8-7-27-2)15(9-22)19(26-18(17)23)29-10-13-11-30-20(21)25-13/h3-6,11H,7-8,10H2,2H3,(H2,23,26)