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

Systemtic Name: 6-azanyl-4-[4-(2-hydroxyethyloxy)phenyl]-5-isocyano-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 6-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-2-[(2-methylthiazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 6-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-2-[(2-methyl-4-thiazolyl)methylthio]-3-pyridinecarbonitrile IUPAC Name: 6-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 6-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-2-[(2-methylthiazol-4-yl)methylthio]nicotinonitrile Formula: C20H17N5O2S2 MolecularWeight: 423.51128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=NC(=C(C(=C2C#N)C3=CC=C(C=C3)OCCO)[N+]#[C-])N

Isomeric SMILES

CC1=NC(=CS1)CSC2=NC(=C(C(=C2C#N)C3=CC=C(C=C3)OCCO)[N+]#[C-])N

InChI

InChI=1S/C20H17N5O2S2/c1-12-24-14(10-28-12)11-29-20-16(9-21)17(18(23-2)19(22)25-20)13-3-5-15(6-4-13)27-8-7-26/h3-6,10,26H,7-8,11H2,1H3,(H2,22,25)