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(3-cyano-4,6-dimethyl-2-sulfanylidene-pyridin-1-yl)methyl-ethyl-(phenylmethyl)azanium

(3-cyano-4,6-dimethyl-2-sulfanylidene-pyridin-1-yl)methyl-ethyl-(phenylmethyl)azanium

Systemtic Name:(3-cyano-4,6-dimethyl-2-sulfanylidene-pyridin-1-yl)methyl-ethyl-(phenylmethyl)azanium
Openeye Name:benzyl-[(3-cyano-4,6-dimethyl-2-thioxo-1-pyridyl)methyl]-ethyl-ammonium
CAS Name:(3-cyano-4,6-dimethyl-2-sulfanylidene-1-pyridinyl)methyl-ethyl-(phenylmethyl)ammonium
IUPAC Name:benzyl-[(3-cyano-4,6-dimethyl-2-sulfanylidenepyridin-1-yl)methyl]-ethylazanium
Traditional Name:benzyl-[(3-cyano-4,6-dimethyl-2-thioxo-1-pyridyl)methyl]-ethyl-ammonium
Formula: C18H22N3S+
MolecularWeight: 312.45238
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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CN2C(=CC(=C(C2=S)C#N)C)C


Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CN2C(=CC(=C(C2=S)C#N)C)C


InChI

InChI=1S/C18H21N3S/c1-4-20(12-16-8-6-5-7-9-16)13-21-15(3)10-14(2)17(11-19)18(21)22/h5-10H,4,12-13H2,1-3H3/p+1


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