(Z)-3-azanyl-2-[3-[oxidanyl(pyridin-4-yl)methyl]phenyl]-3-phenylsulfanyl-prop-2-enenitrile

Systemtic Name: (Z)-3-azanyl-2-[3-[oxidanyl(pyridin-4-yl)methyl]phenyl]-3-phenylsulfanyl-prop-2-enenitrile Openeye Name: (Z)-3-amino-2-[3-[hydroxy(4-pyridyl)methyl]phenyl]-3-phenylsulfanyl-prop-2-enenitrile CAS Name: (Z)-3-amino-2-[3-[hydroxy(pyridin-4-yl)methyl]phenyl]-3-(phenylthio)-2-propenenitrile IUPAC Name: (Z)-3-amino-2-[3-[hydroxy(pyridin-4-yl)methyl]phenyl]-3-phenylsulfanylprop-2-enenitrile Traditional Name: (Z)-3-amino-2-[3-[hydroxy(4-pyridyl)methyl]phenyl]-3-(phenylthio)acrylonitrile Formula: C21H17N3OS MolecularWeight: 359.44418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(=C(C#N)C2=CC(=CC=C2)C(C3=CC=NC=C3)O)N

Isomeric SMILES

C1=CC=C(C=C1)S/C(=C(\C#N)/C2=CC(=CC=C2)C(C3=CC=NC=C3)O)/N

InChI

InChI=1S/C21H17N3OS/c22-14-19(21(23)26-18-7-2-1-3-8-18)16-5-4-6-17(13-16)20(25)15-9-11-24-12-10-15/h1-13,20,25H,23H2/b21-19+