1-isothiocyanato-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-isothiocyanato-4-thiophen-2-yl-butan-1-one Openeye Name: 4-(2-thienyl)butanoyl isothiocyanate CAS Name: 1-isothiocyanato-4-thiophen-2-yl-1-butanone IUPAC Name: 4-thiophen-2-ylbutanoyl isothiocyanate Traditional Name: 1-isothiocyanato-4-(2-thienyl)butan-1-one Formula: C9H9NOS2 MolecularWeight: 211.30386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCCC(=O)N=C=S

Isomeric SMILES

C1=CSC(=C1)CCCC(=O)N=C=S

InChI

InChI=1S/C9H9NOS2/c11-9(10-7-12)5-1-3-8-4-2-6-13-8/h2,4,6H,1,3,5H2