4-isothiocyanato-1-pyridin-3-yl-butan-1-one

Systemtic Name: 4-isothiocyanato-1-pyridin-3-yl-butan-1-one Openeye Name: 4-isothiocyanato-1-(3-pyridyl)butan-1-one CAS Name: 4-isothiocyanato-1-(3-pyridinyl)-1-butanone IUPAC Name: 4-isothiocyanato-1-pyridin-3-ylbutan-1-one Traditional Name: 4-isothiocyanato-1-(3-pyridyl)butan-1-one Formula: C10H10N2OS MolecularWeight: 206.2642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)CCCN=C=S

Isomeric SMILES

C1=CC(=CN=C1)C(=O)CCCN=C=S

InChI

InChI=1S/C10H10N2OS/c13-10(4-2-6-12-8-14)9-3-1-5-11-7-9/h1,3,5,7H,2,4,6H2