1,3-dicyclopentyl-2-isothiocyanato-benzene

Systemtic Name: 1,3-dicyclopentyl-2-isothiocyanato-benzene Openeye Name: 1,3-dicyclopentyl-2-isothiocyanato-benzene CAS Name: 1,3-dicyclopentyl-2-isothiocyanatobenzene IUPAC Name: 1,3-dicyclopentyl-2-isothiocyanatobenzene Traditional Name: 1,3-dicyclopentyl-2-isothiocyanato-benzene Formula: C17H21NS MolecularWeight: 271.42034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=C(C(=CC=C2)C3CCCC3)N=C=S

Isomeric SMILES

C1CCC(C1)C2=C(C(=CC=C2)C3CCCC3)N=C=S

InChI

InChI=1S/C17H21NS/c19-12-18-17-15(13-6-1-2-7-13)10-5-11-16(17)14-8-3-4-9-14/h5,10-11,13-14H,1-4,6-9H2