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

Systemtic Name: 5-butyl-1,3-diethyl-2-isothiocyanato-benzene Openeye Name: 5-butyl-1,3-diethyl-2-isothiocyanato-benzene CAS Name: 5-butyl-1,3-diethyl-2-isothiocyanatobenzene IUPAC Name: 5-butyl-1,3-diethyl-2-isothiocyanatobenzene Traditional Name: 5-butyl-1,3-diethyl-2-isothiocyanato-benzene Formula: C15H21NS MolecularWeight: 247.39894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NS/c1-4-7-8-12-9-13(5-2)15(16-11-17)14(6-3)10-12/h9-10H,4-8H2,1-3H3