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

Systemtic Name: 3-(2-aminophenyl)sulfanyl-3-azanyl-2-[3-[oxidanyl(pyridin-4-yl)methyl]phenyl]prop-2-enenitrile Openeye Name: 3-amino-3-(2-aminophenyl)sulfanyl-2-[3-[hydroxy(4-pyridyl)methyl]phenyl]prop-2-enenitrile CAS Name: 3-amino-3-[(2-aminophenyl)thio]-2-[3-[hydroxy(pyridin-4-yl)methyl]phenyl]-2-propenenitrile IUPAC Name: 3-amino-3-(2-aminophenyl)sulfanyl-2-[3-[hydroxy(pyridin-4-yl)methyl]phenyl]prop-2-enenitrile Traditional Name: 3-amino-3-[(2-aminophenyl)thio]-2-[3-[hydroxy(4-pyridyl)methyl]phenyl]acrylonitrile Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4OS/c22-13-17(21(24)27-19-7-2-1-6-18(19)23)15-4-3-5-16(12-15)20(26)14-8-10-25-11-9-14/h1-12,20,26H,23-24H2