N-[4-(2-azanyl-5-cyano-3-isocyano-6-phenylsulfanyl-pyridin-4-yl)phenyl]ethanamide

Systemtic Name: N-[4-(2-azanyl-5-cyano-3-isocyano-6-phenylsulfanyl-pyridin-4-yl)phenyl]ethanamide Openeye Name: N-[4-(2-amino-5-cyano-3-isocyano-6-phenylsulfanyl-4-pyridyl)phenyl]acetamide CAS Name: N-[4-[2-amino-5-cyano-3-isocyano-6-(phenylthio)-4-pyridinyl]phenyl]acetamide IUPAC Name: N-[4-(2-amino-5-cyano-3-isocyano-6-phenylsulfanylpyridin-4-yl)phenyl]acetamide Traditional Name: N-[4-[2-amino-5-cyano-3-isocyano-6-(phenylthio)-4-pyridyl]phenyl]acetamide Formula: C21H15N5OS MolecularWeight: 385.4417

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=C(C(=NC(=C2[N+]#[C-])N)SC3=CC=CC=C3)C#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=C(C(=NC(=C2[N+]#[C-])N)SC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H15N5OS/c1-13(27)25-15-10-8-14(9-11-15)18-17(12-22)21(26-20(23)19(18)24-2)28-16-6-4-3-5-7-16/h3-11H,1H3,(H2,23,26)(H,25,27)