2-[3,5-diethyl-4-[3-isocyano-5-(methylideneamino)phenyl]sulfanyl-pyrazol-1-yl]ethanol

Systemtic Name: 2-[3,5-diethyl-4-[3-isocyano-5-(methylideneamino)phenyl]sulfanyl-pyrazol-1-yl]ethanol Openeye Name: 2-[3,5-diethyl-4-[3-isocyano-5-(methyleneamino)phenyl]sulfanyl-pyrazol-1-yl]ethanol CAS Name: 2-[3,5-diethyl-4-[[3-isocyano-5-(methyleneamino)phenyl]thio]-1-pyrazolyl]ethanol IUPAC Name: 2-[3,5-diethyl-4-[3-isocyano-5-(methylideneamino)phenyl]sulfanylpyrazol-1-yl]ethanol Traditional Name: 2-[3,5-diethyl-4-[[3-isocyano-5-(methyleneamino)phenyl]thio]pyrazol-1-yl]ethanol Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1CCO)CC)SC2=CC(=CC(=C2)[N+]#[C-])N=C

Isomeric SMILES

CCC1=C(C(=NN1CCO)CC)SC2=CC(=CC(=C2)[N+]#[C-])N=C

InChI

InChI=1S/C17H20N4OS/c1-5-15-17(16(6-2)21(20-15)7-8-22)23-14-10-12(18-3)9-13(11-14)19-4/h9-11,22H,3,5-8H2,1-2H3