(4-butylphenyl)-isothiocyanato-methanone

Systemtic Name: (4-butylphenyl)-isothiocyanato-methanone Openeye Name: 4-butylbenzoyl isothiocyanate CAS Name: (4-butylphenyl)-isothiocyanatomethanone IUPAC Name: 4-butylbenzoyl isothiocyanate Traditional Name: (4-butylphenyl)-isothiocyanato-methanone Formula: C12H13NOS MolecularWeight: 219.30272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N=C=S

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N=C=S

InChI

InChI=1S/C12H13NOS/c1-2-3-4-10-5-7-11(8-6-10)12(14)13-9-15/h5-8H,2-4H2,1H3