(4-butoxyphenyl)-isothiocyanato-methanone

Systemtic Name: (4-butoxyphenyl)-isothiocyanato-methanone Openeye Name: 4-butoxybenzoyl isothiocyanate CAS Name: (4-butoxyphenyl)-isothiocyanatomethanone IUPAC Name: 4-butoxybenzoyl isothiocyanate Traditional Name: (4-butoxyphenyl)-isothiocyanato-methanone Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N=C=S

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N=C=S

InChI

InChI=1S/C12H13NO2S/c1-2-3-8-15-11-6-4-10(5-7-11)12(14)13-9-16/h4-7H,2-3,8H2,1H3