(Z)-3-(2-aminophenyl)sulfanyl-3-azanyl-2-[3-[(1-methylpyridin-1-ium-4-yl)-oxidanyl-methyl]phenyl]prop-2-enenitrile

Systemtic Name: (Z)-3-(2-aminophenyl)sulfanyl-3-azanyl-2-[3-[(1-methylpyridin-1-ium-4-yl)-oxidanyl-methyl]phenyl]prop-2-enenitrile Openeye Name: (Z)-3-amino-3-(2-aminophenyl)sulfanyl-2-[3-[hydroxy-(1-methylpyridin-1-ium-4-yl)methyl]phenyl]prop-2-enenitrile CAS Name: (Z)-3-amino-3-[(2-aminophenyl)thio]-2-[3-[hydroxy-(1-methyl-4-pyridin-1-iumyl)methyl]phenyl]-2-propenenitrile IUPAC Name: (Z)-3-amino-3-(2-aminophenyl)sulfanyl-2-[3-[hydroxy-(1-methylpyridin-1-ium-4-yl)methyl]phenyl]prop-2-enenitrile Traditional Name: (Z)-3-amino-3-[(2-aminophenyl)thio]-2-[3-[hydroxy-(1-methylpyridin-1-ium-4-yl)methyl]phenyl]acrylonitrile Formula: C22H21N4OS+ MolecularWeight: 389.49334

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C(C2=CC=CC(=C2)C(=C(N)SC3=CC=CC=C3N)C#N)O

Isomeric SMILES

C[N+]1=CC=C(C=C1)C(C2=CC=CC(=C2)/C(=C(\N)/SC3=CC=CC=C3N)/C#N)O

InChI

InChI=1S/C22H21N4OS/c1-26-11-9-15(10-12-26)21(27)17-6-4-5-16(13-17)18(14-23)22(25)28-20-8-3-2-7-19(20)24/h2-13,21,27H,24-25H2,1H3/q+1/b22-18+