5-cyclopentyl-1,3-diethyl-2-isothiocyanato-benzene

Systemtic Name: 5-cyclopentyl-1,3-diethyl-2-isothiocyanato-benzene Openeye Name: 5-cyclopentyl-1,3-diethyl-2-isothiocyanato-benzene CAS Name: 5-cyclopentyl-1,3-diethyl-2-isothiocyanatobenzene IUPAC Name: 5-cyclopentyl-1,3-diethyl-2-isothiocyanatobenzene Traditional Name: 5-cyclopentyl-1,3-diethyl-2-isothiocyanato-benzene Formula: C16H21NS MolecularWeight: 259.40964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1N=C=S)CC)C2CCCC2

Isomeric SMILES

CCC1=CC(=CC(=C1N=C=S)CC)C2CCCC2

InChI

InChI=1S/C16H21NS/c1-3-12-9-15(14-7-5-6-8-14)10-13(4-2)16(12)17-11-18/h9-10,14H,3-8H2,1-2H3