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

Systemtic Name: (Z)-3-(2-aminophenyl)sulfanyl-3-azanyl-2-[3-[(3-methylpyridin-2-yl)-oxidanyl-methyl]phenyl]prop-2-enenitrile Openeye Name: (Z)-3-amino-3-(2-aminophenyl)sulfanyl-2-[3-[hydroxy-(3-methyl-2-pyridyl)methyl]phenyl]prop-2-enenitrile CAS Name: (Z)-3-amino-3-[(2-aminophenyl)thio]-2-[3-[hydroxy-(3-methyl-2-pyridinyl)methyl]phenyl]-2-propenenitrile IUPAC Name: (Z)-3-amino-3-(2-aminophenyl)sulfanyl-2-[3-[hydroxy-(3-methylpyridin-2-yl)methyl]phenyl]prop-2-enenitrile Traditional Name: (Z)-3-amino-3-[(2-aminophenyl)thio]-2-[3-[hydroxy-(3-methyl-2-pyridyl)methyl]phenyl]acrylonitrile Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C(C2=CC=CC(=C2)C(=C(N)SC3=CC=CC=C3N)C#N)O

Isomeric SMILES

CC1=C(N=CC=C1)C(C2=CC=CC(=C2)/C(=C(\N)/SC3=CC=CC=C3N)/C#N)O

InChI

InChI=1S/C22H20N4OS/c1-14-6-5-11-26-20(14)21(27)16-8-4-7-15(12-16)17(13-23)22(25)28-19-10-3-2-9-18(19)24/h2-12,21,27H,24-25H2,1H3/b22-17+