2-[2-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methylamino]ethylsulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[2-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methylamino]ethylsulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[2-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methylamino]ethylsulfanylmethyl]benzonitrile CAS Name: 2-[[2-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methylamino]ethylthio]methyl]benzonitrile IUPAC Name: 2-[2-[[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methylamino]ethylsulfanylmethyl]benzonitrile Traditional Name: 2-[[2-[(3-keto-2-methyl-5-methylol-4-pyridylidene)methylamino]ethylthio]methyl]benzonitrile Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNCCSCC2=CC=CC=C2C#N)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNCCSCC2=CC=CC=C2C#N)C1=O)CO

InChI

InChI=1S/C18H19N3O2S/c1-13-18(23)17(16(11-22)9-21-13)10-20-6-7-24-12-15-5-3-2-4-14(15)8-19/h2-5,9-10,20,22H,6-7,11-12H2,1H3