[[4-[(diethylazaniumyl)methyl]phenyl]methylamino]-(2-sulfanylidenepyridin-3-ylidene)methanolate

Systemtic Name: [[4-[(diethylazaniumyl)methyl]phenyl]methylamino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Openeye Name: [[4-[(diethylammonio)methyl]phenyl]methylamino]-(2-thioxo-3-pyridylidene)methanolate CAS Name: [[4-[(diethylammonio)methyl]phenyl]methylamino]-(2-sulfanylidene-3-pyridinylidene)methanolate IUPAC Name: [[4-[(diethylazaniumyl)methyl]phenyl]methylamino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Traditional Name: [[4-[(diethylammonio)methyl]benzyl]amino]-(2-thioxo-3-pyridylidene)methanolate Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=C2C=CC=NC2=S)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=C2C=CC=NC2=S)[O-]

InChI

InChI=1S/C18H23N3OS/c1-3-21(4-2)13-15-9-7-14(8-10-15)12-20-17(22)16-6-5-11-19-18(16)23/h5-11,20,22H,3-4,12-13H2,1-2H3