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

Systemtic Name: 6-azanyl-4-[4-(2-hydroxyethyloxy)phenyl]-5-isocyano-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 6-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-2-[[2-(3-thienyl)thiazol-4-yl]methylsulfanyl]pyridine-3-carbonitrile CAS Name: 6-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-2-[[2-(3-thiophenyl)-4-thiazolyl]methylthio]-3-pyridinecarbonitrile IUPAC Name: 6-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 6-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-2-[[2-(3-thienyl)thiazol-4-yl]methylthio]nicotinonitrile Formula: C23H17N5O2S3 MolecularWeight: 491.60838

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=C(N=C(C(=C1C2=CC=C(C=C2)OCCO)C#N)SCC3=CSC(=N3)C4=CSC=C4)N

Isomeric SMILES

[C-]#[N+]C1=C(N=C(C(=C1C2=CC=C(C=C2)OCCO)C#N)SCC3=CSC(=N3)C4=CSC=C4)N

InChI

InChI=1S/C23H17N5O2S3/c1-26-20-19(14-2-4-17(5-3-14)30-8-7-29)18(10-24)23(28-21(20)25)33-13-16-12-32-22(27-16)15-6-9-31-11-15/h2-6,9,11-12,29H,7-8,13H2,(H2,25,28)